4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile

C130H100ClN19O7 — CID 161019939

IUPAC4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)c(CO)c1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2cc(Cl)cc3cncn23)cc1.N#Cc1ccc(CNCc2c(-c3ccccc3)ccc3cncn23)cc1.O=C(Cc1ccc(=O)[nH]c1)Cc1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C24H19N3O2.2C23H17N3O.C22H18N4.C21H17N3O2.C17H12ClN3O/c25-13-17-6-7-19(20(10-17)15-28)11-22(29)12-24-23(18-4-2-1-3-5-18)9-8-21-14-26-16-27(21)24;2*24-14-18-8-6-17(7-9-18)12-21(27)13-23-22(19-4-2-1-3-5-19)11-10-20-15-25-16-26(20)23;23-12-17-6-8-18(9-7-17)13-24-15-22-21(19-4-2-1-3-5-19)11-10-20-14-25-16-26(20)22;25-18(10-15-6-9-21(26)23-12-15)11-20-19(16-4-2-1-3-5-16)8-7-17-13-22-14-24(17)20;18-14-6-15(21-11-20-10-16(21)7-14)8-17(22)5-12-1-3-13(9-19)4-2-12/h1-10,14,16,28H,11-12,15H2;2*1-11,15-16H,12-13H2;1-11,14,16,24H,13,15H2;1-9,12-14H,10-11H2,(H,23,26);1-4,6-7,10-11H,5,8H2
InChIKeyTYFQMVQKGYQLHG-UHFFFAOYSA-N
MW2075.81 g/mol
LogP22.59
Rot. Bonds30

About 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile

4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile (PubChem CID 161019939) has the molecular formula C130H100ClN19O7 and a molecular weight of 2075.81 g/mol. Its IUPAC name is 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile
PubChem CID161019939
Molecular FormulaC130H100ClN19O7
Molecular Weight2075.81 g/mol
Exact Mass2073.77
IUPAC Name4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)c(CO)c1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2cc(Cl)cc3cncn23)cc1.N#Cc1ccc(CNCc2c(-c3ccccc3)ccc3cncn23)cc1.O=C(Cc1ccc(=O)[nH]c1)Cc1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C24H19N3O2.2C23H17N3O.C22H18N4.C21H17N3O2.C17H12ClN3O/c25-13-17-6-7-19(20(10-17)15-28)11-22(29)12-24-23(18-4-2-1-3-5-18)9-8-21-14-26-16-27(21)24;2*24-14-18-8-6-17(7-9-18)12-21(27)13-23-22(19-4-2-1-3-5-19)11-10-20-15-25-16-26(20)23;23-12-17-6-8-18(9-7-17)13-24-15-22-21(19-4-2-1-3-5-19)11-10-20-14-25-16-26(20)22;25-18(10-15-6-9-21(26)23-12-15)11-20-19(16-4-2-1-3-5-16)8-7-17-13-22-14-24(17)20;18-14-6-15(21-11-20-10-16(21)7-14)8-17(22)5-12-1-3-13(9-19)4-2-12/h1-10,14,16,28H,11-12,15H2;2*1-11,15-16H,12-13H2;1-11,14,16,24H,13,15H2;1-9,12-14H,10-11H2,(H,23,26);1-4,6-7,10-11H,5,8H2
InChIKeyTYFQMVQKGYQLHG-UHFFFAOYSA-N
XLogP22.59
TPSA373.22 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002075.81
LogP ≤ 522.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile?
The IUPAC name of 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile (CID 161019939) is 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile?
The canonical SMILES for 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile is N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)c(CO)c1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2cc(Cl)cc3cncn23)cc1.N#Cc1ccc(CNCc2c(-c3ccccc3)ccc3cncn23)cc1.O=C(Cc1ccc(=O)[nH]c1)Cc1c(-c2ccccc2)ccc2cncn12.
What is the InChIKey of 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile?
The InChIKey is TYFQMVQKGYQLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2.2C23H17N3O.C22H18N4.C21H17N3O2.C17H12ClN3O/c25-13-17-6-7-19(20(10-17)15-28)11-22(29)12-24-23(18-4-2-1-3-5-18)9-8-21-14-26-16-27(21)24;2*24-14-18-8-6-17(7-9-18)12-21(27)13-23-22(19-4-2-1-3-5-19)11-10-20-15-25-16-26(20)23;23-12-17-6-8-18(9-7-17)13-24-15-22-21(19-4-2-1-3-5-19)11-10-20-14-25-16-26(20)22;25-18(10-15-6-9-21(26)23-12-15)11-20-19(16-4-2-1-3-5-16)8-7-17-13-22-14-24(17)20;18-14-6-15(21-11-20-10-16(21)7-14)8-17(22)5-12-1-3-13(9-19)4-2-12/h1-10,14,16,28H,11-12,15H2;2*1-11,15-16H,12-13H2;1-11,14,16,24H,13,15H2;1-9,12-14H,10-11H2,(H,23,26);1-4,6-7,10-11H,5,8H2.
What are the key properties of 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile?
4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile has a molecular weight of 2075.81 g/mol, XLogP of 22.59, 30 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;bis(4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile);5-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]-1H-pyridin-2-one;4-[[(6-phenylimidazo[1,5-a]pyridin-5-yl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 161019939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).