3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile

C25H21N5O — CID 59984542

IUPAC3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1cccc(N2CCN(C(=O)c3c(-c4ccccc4)nc4ccccn34)CC2)c1
InChIInChI=1S/C25H21N5O/c26-18-19-7-6-10-21(17-19)28-13-15-29(16-14-28)25(31)24-23(20-8-2-1-3-9-20)27-22-11-4-5-12-30(22)24/h1-12,17H,13-16H2
InChIKeyMEUYSCNDCGOVCX-UHFFFAOYSA-N
MW407.48 g/mol
LogP3.84
Rot. Bonds3

About 3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile

3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile (PubChem CID 59984542) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile
PubChem CID59984542
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1cccc(N2CCN(C(=O)c3c(-c4ccccc4)nc4ccccn34)CC2)c1
InChIInChI=1S/C25H21N5O/c26-18-19-7-6-10-21(17-19)28-13-15-29(16-14-28)25(31)24-23(20-8-2-1-3-9-20)27-22-11-4-5-12-30(22)24/h1-12,17H,13-16H2
InChIKeyMEUYSCNDCGOVCX-UHFFFAOYSA-N
XLogP3.84
TPSA64.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenylimidazo[1,2-a]pyridin-3-yl)-pyrrolidin-1-ylmethanone
CID 155383445
2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone
CID 138515789
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile
CID 113080898
5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 146373245
3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzonitrile
CID 9254489
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 17478919
3-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215208
4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108801
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342399
3-[4-(3-cyanophenyl)piperazin-1-yl]propanoic acid
CID 117028290
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355476

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile (CID 59984542) is 3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile is N#Cc1cccc(N2CCN(C(=O)c3c(-c4ccccc4)nc4ccccn34)CC2)c1.
What is the InChIKey of 3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile?
The InChIKey is MEUYSCNDCGOVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c26-18-19-7-6-10-21(17-19)28-13-15-29(16-14-28)25(31)24-23(20-8-2-1-3-9-20)27-22-11-4-5-12-30(22)24/h1-12,17H,13-16H2.
What are the key properties of 3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile?
3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile has a molecular weight of 407.48 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 59984542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).