2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

C27H24ClN7O — CID 122503724

IUPAC2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc2c(c1)nc1n2C[C@@](NC(=O)c2ccc(-n3cnc(C)n3)cc2Cl)(c2cccnc2)CC1
InChIInChI=1S/C27H24ClN7O/c1-17-5-8-24-23(12-17)31-25-9-10-27(15-34(24)25,19-4-3-11-29-14-19)32-26(36)21-7-6-20(13-22(21)28)35-16-30-18(2)33-35/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,32,36)/t27-/m1/s1
InChIKeyGYZKTKWMSWHHER-HHHXNRCGSA-N
MW497.99 g/mol
LogP4.55
Rot. Bonds4

About 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (PubChem CID 122503724) has the molecular formula C27H24ClN7O and a molecular weight of 497.99 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
PubChem CID122503724
Molecular FormulaC27H24ClN7O
Molecular Weight497.99 g/mol
Exact Mass497.17
IUPAC Name2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc2c(c1)nc1n2C[C@@](NC(=O)c2ccc(-n3cnc(C)n3)cc2Cl)(c2cccnc2)CC1
InChIInChI=1S/C27H24ClN7O/c1-17-5-8-24-23(12-17)31-25-9-10-27(15-34(24)25,19-4-3-11-29-14-19)32-26(36)21-7-6-20(13-22(21)28)35-16-30-18(2)33-35/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,32,36)/t27-/m1/s1
InChIKeyGYZKTKWMSWHHER-HHHXNRCGSA-N
XLogP4.55
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.99
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
1-(3-carbamimidoylphenyl)-N-[4-(5-chloro-1H-1,3-benzodiazol-1-yl)phenyl]-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 23646207
[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 56675928
PF-06446846
CID 86271238
2,6-Dichloro-N-[(2r)-2-(5,6-Dimethyl-1h-Benzimidazol-2-Yl)-2-Phenylethyl]-4-(4h-1,2,4-Triazol-4-Yl)benzamide
CID 91799239
1-(5-Chloro-2-Methylphenyl)-4-(Pyrrolo[2,1-F][1,2,4]triazin-4-Yl)-1h-Pyrrole-2-Carboxamide
CID 118129292
1-[(3,5-dichloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132339
1-(2-chlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153309
1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153330
(4-{9-(3-Chloro-phenyl)-2-[2-(3H-imidazol-4-yl)-ethylamino]-9H-purin-6-ylamino}-phenyl)-piperidin-1-yl-methanone
CID 24762178
5H-1-benzazepin-5-ylidene acetamide, 1o
CID 44520865
2-Chloranyl-~{n}-[(7~{s})-2-Methyl-7-Phenyl-10-(1~{h}-1,2,3,4-Tetrazol-5-Yl)-8,9-Dihydro-6~{h}-Pyrido[1,2-A]indol-7-Yl]-4-(1,2,4-Triazol-4-Yl)benzamide
CID 92045010

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (CID 122503724) is 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is Cc1ccc2c(c1)nc1n2C[C@@](NC(=O)c2ccc(-n3cnc(C)n3)cc2Cl)(c2cccnc2)CC1.
What is the InChIKey of 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The InChIKey is GYZKTKWMSWHHER-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H24ClN7O/c1-17-5-8-24-23(12-17)31-25-9-10-27(15-34(24)25,19-4-3-11-29-14-19)32-26(36)21-7-6-20(13-22(21)28)35-16-30-18(2)33-35/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,32,36)/t27-/m1/s1.
What are the key properties of 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide has a molecular weight of 497.99 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 122503724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).