4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile

C87H67ClN12O4 — CID 158242808

IUPAC4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile
SMILESC#Cc1ccc(CNCc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)c(CO)c1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2cc(Cl)cc3cncn23)cc1
InChIInChI=1S/C24H19N3O2.C23H17N3O.C23H19N3.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;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;1-2-18-8-10-19(11-9-18)14-24-16-23-22(20-6-4-3-5-7-20)13-12-21-15-25-17-26(21)23;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;1-11,15-16H,12-13H2;1,3-13,15,17,24H,14,16H2;1-4,6-7,10-11H,5,8H2
InChIKeyGFTFBSQQVPQTAA-UHFFFAOYSA-N
MW1380.03 g/mol
LogP15.43
Rot. Bonds20

About 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile

4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile (PubChem CID 158242808) has the molecular formula C87H67ClN12O4 and a molecular weight of 1380.03 g/mol. Its IUPAC name is 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile
PubChem CID158242808
Molecular FormulaC87H67ClN12O4
Molecular Weight1380.03 g/mol
Exact Mass1378.51
IUPAC Name4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile
SMILESC#Cc1ccc(CNCc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)c(CO)c1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2cc(Cl)cc3cncn23)cc1
InChIInChI=1S/C24H19N3O2.C23H17N3O.C23H19N3.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;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;1-2-18-8-10-19(11-9-18)14-24-16-23-22(20-6-4-3-5-7-20)13-12-21-15-25-17-26(21)23;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;1-11,15-16H,12-13H2;1,3-13,15,17,24H,14,16H2;1-4,6-7,10-11H,5,8H2
InChIKeyGFTFBSQQVPQTAA-UHFFFAOYSA-N
XLogP15.43
TPSA224.04 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.03
LogP ≤ 515.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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

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Related Compounds

Ethyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;ethyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)butyl]benzonitrile;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanoic acid
CID 158877627
4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;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
CID 160236152
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
5-chloro-6-phenylimidazo[1,5-a]pyridine;1,1-diphenyl-N-(6-phenylimidazo[1,5-a]pyridin-5-yl)methanimine;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;6-phenylimidazo[1,5-a]pyridin-5-amine
CID 161780449

Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile?
The IUPAC name of 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile (CID 158242808) is 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile.
What is the SMILES notation for 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile?
The canonical SMILES for 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile is C#Cc1ccc(CNCc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)c(CO)c1.N#Cc1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2cc(Cl)cc3cncn23)cc1.
What is the InChIKey of 4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile?
The InChIKey is GFTFBSQQVPQTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2.C23H17N3O.C23H19N3.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;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;1-2-18-8-10-19(11-9-18)14-24-16-23-22(20-6-4-3-5-7-20)13-12-21-15-25-17-26(21)23;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;1-11,15-16H,12-13H2;1,3-13,15,17,24H,14,16H2;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;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile?
4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile has a molecular weight of 1380.03 g/mol, XLogP of 15.43, 20 rotatable bonds, 2 hydrogen bond donors, and 16 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;1-(4-ethynylphenyl)-N-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]methanamine;3-(hydroxymethyl)-4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile is sourced from PubChem (CID 158242808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).