2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide

C32H22ClF6N9O2 — CID 58047776

IUPAC2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide
SMILESCc1cc(C#N)cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C32H22ClF6N9O2/c1-17-10-18(15-40)11-23(28(50)42-30(7-8-30)19-4-2-5-20(12-19)31(34,35)36)22(17)14-26(49)25-13-21(16-47-45-29(43-46-47)32(37,38)39)44-48(25)27-24(33)6-3-9-41-27/h2-6,9-13H,7-8,14,16H2,1H3,(H,42,50)
InChIKeyVMAYYQFQYFPYPH-UHFFFAOYSA-N
MW714.03 g/mol
LogP6.02
Rot. Bonds9

About 2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide

2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide (PubChem CID 58047776) has the molecular formula C32H22ClF6N9O2 and a molecular weight of 714.03 g/mol. Its IUPAC name is 2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide.

Molecular Properties

Compound Name2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide
PubChem CID58047776
Molecular FormulaC32H22ClF6N9O2
Molecular Weight714.03 g/mol
Exact Mass713.15
IUPAC Name2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide
SMILESCc1cc(C#N)cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C32H22ClF6N9O2/c1-17-10-18(15-40)11-23(28(50)42-30(7-8-30)19-4-2-5-20(12-19)31(34,35)36)22(17)14-26(49)25-13-21(16-47-45-29(43-46-47)32(37,38)39)44-48(25)27-24(33)6-3-9-41-27/h2-6,9-13H,7-8,14,16H2,1H3,(H,42,50)
InChIKeyVMAYYQFQYFPYPH-UHFFFAOYSA-N
XLogP6.02
TPSA144.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.03
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide with MolForge

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Related Compounds

Tetraniliprole
CID 56602311
Pyrazole derivative 13
CID 24824727
2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 46243978
N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-3-carboxamide
CID 46243979
2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-5-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-3-carboxamide
CID 46244056
N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloropyridin-2-yl)-5-[[5-(1,1,2,2,3,3,3-heptafluoropropyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 46245112
N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(1,1,2,2,3,3,3-heptafluoropropyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 46245190
2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[5-(1,1,2,2,3,3,3-heptafluoropropyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 46245191
2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-5-[[5-(1,1,2,2,3,3,3-heptafluoropropyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 46245193
N-[4-chloro-2-(cyanomethylcarbamoyl)-6-methylphenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(1,1,2,2,3,3,3-heptafluoropropyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 46245265
2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 46245267
N-(2-carbamoyl-4-cyano-6-methylphenyl)-2-(3-chloropyridin-2-yl)-5-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]pyrazole-3-carboxamide
CID 53492491

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide?
The IUPAC name of 2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide (CID 58047776) is 2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide.
What is the SMILES notation for 2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide?
The canonical SMILES for 2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide is Cc1cc(C#N)cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl.
What is the InChIKey of 2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide?
The InChIKey is VMAYYQFQYFPYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22ClF6N9O2/c1-17-10-18(15-40)11-23(28(50)42-30(7-8-30)19-4-2-5-20(12-19)31(34,35)36)22(17)14-26(49)25-13-21(16-47-45-29(43-46-47)32(37,38)39)44-48(25)27-24(33)6-3-9-41-27/h2-6,9-13H,7-8,14,16H2,1H3,(H,42,50).
What are the key properties of 2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide?
2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide has a molecular weight of 714.03 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-5-cyano-3-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide is sourced from PubChem (CID 58047776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).