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

C23H25N7O — CID 143254615

IUPACN-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCn1nc(C)cc1-c1nc2ccc(NC(=O)c3ccc(N4CCCC4)nc3)cc2[nH]1
InChIInChI=1S/C23H25N7O/c1-3-30-20(12-15(2)28-30)22-26-18-8-7-17(13-19(18)27-22)25-23(31)16-6-9-21(24-14-16)29-10-4-5-11-29/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyRPURFVIBYFGDLJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.00
Rot. Bonds5

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

N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 143254615) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID143254615
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC NameN-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCn1nc(C)cc1-c1nc2ccc(NC(=O)c3ccc(N4CCCC4)nc3)cc2[nH]1
InChIInChI=1S/C23H25N7O/c1-3-30-20(12-15(2)28-30)22-26-18-8-7-17(13-19(18)27-22)25-23(31)16-6-9-21(24-14-16)29-10-4-5-11-29/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyRPURFVIBYFGDLJ-UHFFFAOYSA-N
XLogP4.00
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 135453096
N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 143254630
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 30267342
N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 18144011
N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154758
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 86901727
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 143254615) is N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is CCn1nc(C)cc1-c1nc2ccc(NC(=O)c3ccc(N4CCCC4)nc3)cc2[nH]1.
What is the InChIKey of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is RPURFVIBYFGDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-3-30-20(12-15(2)28-30)22-26-18-8-7-17(13-19(18)27-22)25-23(31)16-6-9-21(24-14-16)29-10-4-5-11-29/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,31)(H,26,27).
What are the key properties of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 143254615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).