N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

C24H27N7O3S — CID 154858673

IUPACN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)C1
InChIInChI=1S/C24H27N7O3S/c1-16-23(17(2)29-28-16)35(33,34)30-11-5-6-19(14-30)24(32)26-13-18-9-10-22(25-12-18)31-15-27-20-7-3-4-8-21(20)31/h3-4,7-10,12,15,19H,5-6,11,13-14H2,1-2H3,(H,26,32)(H,28,29)
InChIKeyXDSWWKXRWKYZDW-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.48
Rot. Bonds6

About N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 154858673) has the molecular formula C24H27N7O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID154858673
Molecular FormulaC24H27N7O3S
Molecular Weight493.59 g/mol
Exact Mass493.19
IUPAC NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)C1
InChIInChI=1S/C24H27N7O3S/c1-16-23(17(2)29-28-16)35(33,34)30-11-5-6-19(14-30)24(32)26-13-18-9-10-22(25-12-18)31-15-27-20-7-3-4-8-21(20)31/h3-4,7-10,12,15,19H,5-6,11,13-14H2,1-2H3,(H,26,32)(H,28,29)
InChIKeyXDSWWKXRWKYZDW-UHFFFAOYSA-N
XLogP2.48
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335778
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335784
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 110335780
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 110335758
N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335763
4-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]amino]butanoic acid
CID 119352502
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
CID 110335782
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 38529319
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 110335805
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 49045941
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119514471

Frequently Asked Questions

What is the IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 154858673) is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)C1.
What is the InChIKey of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is XDSWWKXRWKYZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3S/c1-16-23(17(2)29-28-16)35(33,34)30-11-5-6-19(14-30)24(32)26-13-18-9-10-22(25-12-18)31-15-27-20-7-3-4-8-21(20)31/h3-4,7-10,12,15,19H,5-6,11,13-14H2,1-2H3,(H,26,32)(H,28,29).
What are the key properties of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 154858673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).