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Home > Pyridines > 1381208-99-6
1381208-99-6 | 3-{[4-({7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)piperidin-1-yl]methyl}pyridine
CAS No: 1381208-99-6 Catalog No: AG01B21C MDL No:MFCD29907277
Product Description
Catalog Number:
AG01B21C
Chemical Name:
3-{[4-({7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)piperidin-1-yl]methyl}pyridine
CAS Number:
1381208-99-6
Molecular Formula:
C26H29N5O
Molecular Weight:
427.5414
MDL Number:
MFCD29907277
IUPAC Name:
7-benzyl-5,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C26H29N5O/c1-19-20(2)31(17-21-7-4-3-5-8-21)25-24(19)26(29-18-28-25)32-23-10-13-30(14-11-23)16-22-9-6-12-27-15-22/h3-9,12,15,18,23H,10-11,13-14,16-17H2,1-2H3
InChI Key:
PPIOFHDONIELRC-UHFFFAOYSA-N
SMILES:
Cc1c(C)n(c2c1c(ncn2)OC1CCN(CC1)Cc1cccnc1)Cc1ccccc1
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.237g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.552g/mol
Monoisotopic Mass:
427.237g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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