6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

C17H13ClN6O2 — CID 163227921

IUPAC6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc2nc(-c3cc(NC(=O)c4ccc(Cl)nc4)n[nH]3)[nH]c2c1
InChIInChI=1S/C17H13ClN6O2/c1-26-10-3-4-11-12(6-10)21-16(20-11)13-7-15(24-23-13)22-17(25)9-2-5-14(18)19-8-9/h2-8H,1H3,(H,20,21)(H2,22,23,24,25)
InChIKeyRIJWBEIPZRVXOQ-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.26
Rot. Bonds4

About 6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 163227921) has the molecular formula C17H13ClN6O2 and a molecular weight of 368.78 g/mol. Its IUPAC name is 6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID163227921
Molecular FormulaC17H13ClN6O2
Molecular Weight368.78 g/mol
Exact Mass368.08
IUPAC Name6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc2nc(-c3cc(NC(=O)c4ccc(Cl)nc4)n[nH]3)[nH]c2c1
InChIInChI=1S/C17H13ClN6O2/c1-26-10-3-4-11-12(6-10)21-16(20-11)13-7-15(24-23-13)22-17(25)9-2-5-14(18)19-8-9/h2-8H,1H3,(H,20,21)(H2,22,23,24,25)
InChIKeyRIJWBEIPZRVXOQ-UHFFFAOYSA-N
XLogP3.26
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide
CID 155161295
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
CID 164954521
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-(dimethylamino)benzamide
CID 155701119
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-(2-methoxyethylamino)benzamide
CID 163227858
N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
CID 62416612
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 163227977
2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 173123224
6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 136929757
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
6-chloro-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26267192

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (CID 163227921) is 6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is COc1ccc2nc(-c3cc(NC(=O)c4ccc(Cl)nc4)n[nH]3)[nH]c2c1.
What is the InChIKey of 6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is RIJWBEIPZRVXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2/c1-26-10-3-4-11-12(6-10)21-16(20-11)13-7-15(24-23-13)22-17(25)9-2-5-14(18)19-8-9/h2-8H,1H3,(H,20,21)(H2,22,23,24,25).
What are the key properties of 6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 368.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163227921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).