N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide

C22H21ClN6O — CID 135814964

IUPACN-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
SMILESCc1cc2nc(-c3n[nH]c4c3CCN(C(=O)Nc3ccccc3Cl)C4)[nH]c2cc1C
InChIInChI=1S/C22H21ClN6O/c1-12-9-17-18(10-13(12)2)25-21(24-17)20-14-7-8-29(11-19(14)27-28-20)22(30)26-16-6-4-3-5-15(16)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)(H,26,30)(H,27,28)
InChIKeyYSKFTBLVNBJMHJ-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.81
Rot. Bonds2

About N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide

N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide (PubChem CID 135814964) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
PubChem CID135814964
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC NameN-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
SMILESCc1cc2nc(-c3n[nH]c4c3CCN(C(=O)Nc3ccccc3Cl)C4)[nH]c2cc1C
InChIInChI=1S/C22H21ClN6O/c1-12-9-17-18(10-13(12)2)25-21(24-17)20-14-7-8-29(11-19(14)27-28-20)22(30)26-16-6-4-3-5-15(16)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)(H,26,30)(H,27,28)
InChIKeyYSKFTBLVNBJMHJ-UHFFFAOYSA-N
XLogP4.81
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide 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

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid;2-phenylethanamine
CID 172857001
1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one
CID 135601417
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-(3-methoxyphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 135601442
2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
CID 135804648
N-(5-fluoro-2-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 23935329
5-bromo-N-(2-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170835790
5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 11485368
N-(2-chlorophenyl)-4-(4-methylphenyl)-7-thia-2,3,5,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene-10-carboxamide
CID 53080024
2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 135750659
6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 146953179
3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide
CID 171706350
N-(2-chlorophenyl)-2-[4-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)piperazin-1-yl]acetamide
CID 75452018

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide (CID 135814964) is N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide is Cc1cc2nc(-c3n[nH]c4c3CCN(C(=O)Nc3ccccc3Cl)C4)[nH]c2cc1C.
What is the InChIKey of N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide?
The InChIKey is YSKFTBLVNBJMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-12-9-17-18(10-13(12)2)25-21(24-17)20-14-7-8-29(11-19(14)27-28-20)22(30)26-16-6-4-3-5-15(16)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)(H,26,30)(H,27,28).
What are the key properties of N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide?
N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 135814964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).