5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide

C33H24Cl2F3N9O2 — CID 58047895

IUPAC5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide
SMILESCc1cc(Cl)cc(C(=O)NCc2cccc(-c3ccccc3)n2)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C33H24Cl2F3N9O2/c1-19-13-21(34)14-25(31(49)40-17-22-9-5-11-27(41-22)20-7-3-2-4-8-20)24(19)16-29(48)28-15-23(18-46-44-32(42-45-46)33(36,37)38)43-47(28)30-26(35)10-6-12-39-30/h2-15H,16-18H2,1H3,(H,40,49)
InChIKeyZCLDCVWDFYGGJM-UHFFFAOYSA-N
MW706.52 g/mol
LogP6.35
Rot. Bonds10

About 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide

5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide (PubChem CID 58047895) has the molecular formula C33H24Cl2F3N9O2 and a molecular weight of 706.52 g/mol. Its IUPAC name is 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide
PubChem CID58047895
Molecular FormulaC33H24Cl2F3N9O2
Molecular Weight706.52 g/mol
Exact Mass705.14
IUPAC Name5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide
SMILESCc1cc(Cl)cc(C(=O)NCc2cccc(-c3ccccc3)n2)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C33H24Cl2F3N9O2/c1-19-13-21(34)14-25(31(49)40-17-22-9-5-11-27(41-22)20-7-3-2-4-8-20)24(19)16-29(48)28-15-23(18-46-44-32(42-45-46)33(36,37)38)43-47(28)30-26(35)10-6-12-39-30/h2-15H,16-18H2,1H3,(H,40,49)
InChIKeyZCLDCVWDFYGGJM-UHFFFAOYSA-N
XLogP6.35
TPSA133.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.52
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide with MolForge

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Related Compounds

Tetraniliprole
CID 56602311
2-chloro-5-(1-methyl-1H-pyrazol-3-yl)-N-(1-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 91933847
N-[(2-amino-4-pyridinyl)methyl]-5-[[2-chloro-4-fluoro-5-(6-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 155517096
N-[(2-amino-4-pyridinyl)methyl]-5-[[2,4-dichloro-5-(6-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 155549730
PF-06815345 active metabolite
CID 121268228
(1R,3S,5R)-2-[2-(3-Acetyl-pyrazolo[3,4-b]pyridin-1-yl)-acetyl]-2-aza-bicyclo[3.1.0]hexane-3-carboxylic acid [(1R,2S)-2-(3-chloro-2-fluoro-phenyl)-cyclopropyl]-amide
CID 72943342
5-[[2-chloro-5-(3-fluoropyridin-2-yl)benzoyl]amino]-N-(4,4-difluoropyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 118497105
5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyridazin-4-ylmethyl)pyrazole-3-carboxamide
CID 118497172
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenyl-N-(pyridazin-3-ylmethyl)pyrazole-3-carboxamide
CID 118506647
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-[(3-methyltriazol-4-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 118506650
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-[(1-methyltriazol-4-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 118506653
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenyl-N-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
CID 118506654

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide (CID 58047895) is 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide is Cc1cc(Cl)cc(C(=O)NCc2cccc(-c3ccccc3)n2)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl.
What is the InChIKey of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide?
The InChIKey is ZCLDCVWDFYGGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24Cl2F3N9O2/c1-19-13-21(34)14-25(31(49)40-17-22-9-5-11-27(41-22)20-7-3-2-4-8-20)24(19)16-29(48)28-15-23(18-46-44-32(42-45-46)33(36,37)38)43-47(28)30-26(35)10-6-12-39-30/h2-15H,16-18H2,1H3,(H,40,49).
What are the key properties of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide?
5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide has a molecular weight of 706.52 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 58047895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).