N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

C22H23N7O — CID 135453096

IUPACN-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1cc(-c2nc3ccc(NC(=O)c4ccc(N5CCCC5)nc4)cc3[nH]2)n(C)n1
InChIInChI=1S/C22H23N7O/c1-14-11-19(28(2)27-14)21-25-17-7-6-16(12-18(17)26-21)24-22(30)15-5-8-20(23-13-15)29-9-3-4-10-29/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,30)(H,25,26)
InChIKeyZJSAURFPDCBIBG-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.52
Rot. Bonds4

About N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 135453096) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID135453096
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1cc(-c2nc3ccc(NC(=O)c4ccc(N5CCCC5)nc4)cc3[nH]2)n(C)n1
InChIInChI=1S/C22H23N7O/c1-14-11-19(28(2)27-14)21-25-17-7-6-16(12-18(17)26-21)24-22(30)15-5-8-20(23-13-15)29-9-3-4-10-29/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,30)(H,25,26)
InChIKeyZJSAURFPDCBIBG-UHFFFAOYSA-N
XLogP3.52
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 143254615
N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 143254630
N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 163227912
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 30267342
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 18144011
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide
CID 163228419
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 135453096) is N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is Cc1cc(-c2nc3ccc(NC(=O)c4ccc(N5CCCC5)nc4)cc3[nH]2)n(C)n1.
What is the InChIKey of N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is ZJSAURFPDCBIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14-11-19(28(2)27-14)21-25-17-7-6-16(12-18(17)26-21)24-22(30)15-5-8-20(23-13-15)29-9-3-4-10-29/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,30)(H,25,26).
What are the key properties of N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 135453096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).