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Home > Pyridines > 1627503-67-6
1627503-67-6 | Piperazine, 1-[4-[6-methyl-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]-
CAS No: 1627503-67-6 Catalog No: AG001TE2 MDL No:MFCD28168043
Product Description
Catalog Number:
AG001TE2
Chemical Name:
Piperazine, 1-[4-[6-methyl-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]-
CAS Number:
1627503-67-6
Molecular Formula:
C25H29N3O3
Molecular Weight:
419.5161
MDL Number:
MFCD28168043
IUPAC Name:
1-[4-[6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
InChI:
InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3
InChI Key:
BHUXVRVMMYAXKN-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1cc(cnc1C)c1ccc(cc1)N1CCNCC1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.221g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.525g/mol
Monoisotopic Mass:
419.221g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship of 3,5-diaryl-2-aminopyridine ALK2 inhibitors reveals unaltered binding affinity for fibrodysplasia ossificans progressiva causing mutants. | Journal of medicinal chemistry 20141009 |
| ACVR1 (587T>C) mutation in a variant form of fibrodysplasia ossificans progressiva: second report. | American journal of medical genetics. Part A 20140101 |
| Fibrodysplasia ossificans progressiva: clinical and genetic aspects. | Orphanet journal of rare diseases 20110101 |
| Classic and atypical fibrodysplasia ossificans progressiva (FOP) phenotypes are caused by mutations in the bone morphogenetic protein (BMP) type I receptor ACVR1. | Human mutation 20090301 |
| A recurrent mutation in the BMP type I receptor ACVR1 causes inherited and sporadic fibrodysplasia ossificans progressiva. | Nature genetics 20060501 |
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