1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

C26H22ClF3N10O2 — CID 54751759

IUPAC1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCc1cc(C#N)cc(C(=O)NC2CCCC2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C26H22ClF3N10O2/c1-14-9-15(12-31)10-18(23(41)33-16-5-2-3-6-16)21(14)34-24(42)20-11-17(13-39-37-25(35-38-39)26(28,29)30)36-40(20)22-19(27)7-4-8-32-22/h4,7-11,16H,2-3,5-6,13H2,1H3,(H,33,41)(H,34,42)
InChIKeyOLMGZRQZVBLDBW-UHFFFAOYSA-N
MW598.98 g/mol
LogP4.08
Rot. Bonds7

About 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 54751759) has the molecular formula C26H22ClF3N10O2 and a molecular weight of 598.98 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
PubChem CID54751759
Molecular FormulaC26H22ClF3N10O2
Molecular Weight598.98 g/mol
Exact Mass598.16
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCc1cc(C#N)cc(C(=O)NC2CCCC2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C26H22ClF3N10O2/c1-14-9-15(12-31)10-18(23(41)33-16-5-2-3-6-16)21(14)34-24(42)20-11-17(13-39-37-25(35-38-39)26(28,29)30)36-40(20)22-19(27)7-4-8-32-22/h4,7-11,16H,2-3,5-6,13H2,1H3,(H,33,41)(H,34,42)
InChIKeyOLMGZRQZVBLDBW-UHFFFAOYSA-N
XLogP4.08
TPSA156.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.98
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (CID 54751759) is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is Cc1cc(C#N)cc(C(=O)NC2CCCC2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The InChIKey is OLMGZRQZVBLDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N10O2/c1-14-9-15(12-31)10-18(23(41)33-16-5-2-3-6-16)21(14)34-24(42)20-11-17(13-39-37-25(35-38-39)26(28,29)30)36-40(20)22-19(27)7-4-8-32-22/h4,7-11,16H,2-3,5-6,13H2,1H3,(H,33,41)(H,34,42).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 598.98 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopentylcarbamoyl)-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 54751759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).