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Home > Pyridines > 794510-70-6
794510-70-6 | 4-[5-(4-piperidinyl)-1H-pyrazol-3-yl]Pyridine
CAS No: 794510-70-6 Catalog No: AG00G8LA MDL No:MFCD27919983
Product Description
Catalog Number:
AG00G8LA
Chemical Name:
4-[5-(4-piperidinyl)-1H-pyrazol-3-yl]Pyridine
CAS Number:
794510-70-6
Molecular Formula:
C13H18Cl2N4
Molecular Weight:
301.2148
MDL Number:
MFCD27919983
IUPAC Name:
4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine
InChI:
InChI=1S/C13H16N4/c1-5-14-6-2-10(1)12-9-13(17-16-12)11-3-7-15-8-4-11/h1-2,5-6,9,11,15H,3-4,7-8H2,(H,16,17)
InChI Key:
VXNHTGWDWVCFSI-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1n[nH]c(c1)c1ccncc1.Cl.Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.299g/mol
Monoisotopic Mass:
228.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Discovery of mitogen-activated protein kinase-interacting kinase 1 inhibitors by a comprehensive fragment-oriented virtual screening approach. | Journal of medicinal chemistry 20100923 |
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