6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

C45H32ClF6N9O3S — CID 118394328

IUPAC6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1csc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)ccc2C(F)(F)F)n1.NC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n(-c3ccccc3)n2)nc1
InChIInChI=1S/C23H15ClF3N5O2.C22H17F3N4OS/c24-17-10-14(23(25,26)27)7-8-16(17)22(34)30-20-11-19(18-9-6-13(12-29-18)21(28)33)31-32(20)15-4-2-1-3-5-15;1-13-10-19(29(28-13)16-6-4-3-5-7-16)27-20(30)15-8-9-18(22(23,24)25)17(11-15)21-26-14(2)12-31-21/h1-12H,(H2,28,33)(H,30,34);3-12H,1-2H3,(H,27,30)
InChIKeyWWJDBPHHQBSSER-UHFFFAOYSA-N
MW928.32 g/mol
LogP10.84
Rot. Bonds9

About 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118394328) has the molecular formula C45H32ClF6N9O3S and a molecular weight of 928.32 g/mol. Its IUPAC name is 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID118394328
Molecular FormulaC45H32ClF6N9O3S
Molecular Weight928.32 g/mol
Exact Mass927.19
IUPAC Name6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1csc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)ccc2C(F)(F)F)n1.NC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n(-c3ccccc3)n2)nc1
InChIInChI=1S/C23H15ClF3N5O2.C22H17F3N4OS/c24-17-10-14(23(25,26)27)7-8-16(17)22(34)30-20-11-19(18-9-6-13(12-29-18)21(28)33)31-32(20)15-4-2-1-3-5-15;1-13-10-19(29(28-13)16-6-4-3-5-7-16)27-20(30)15-8-9-18(22(23,24)25)17(11-15)21-26-14(2)12-31-21/h1-12H,(H2,28,33)(H,30,34);3-12H,1-2H3,(H,27,30)
InChIKeyWWJDBPHHQBSSER-UHFFFAOYSA-N
XLogP10.84
TPSA162.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.32
LogP ≤ 510.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-chloro-3-(4-methyl-1,3-thiazol-2-yl)-N-(1-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 118392853
N-[2-(5-methyl-1H-pyrazol-3-yl)-5-pyridin-2-ylpyrazol-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 118394349
CID 157323871
CID 157323871
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 161685905
3-amino-N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 17021878
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)-N-[2-[2-[5-[[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]carbamoyl]-2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]-5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrazole-3-carboxamide
CID 162596336
N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 146329884
N-[4-[1-[[3-[1-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166352875

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (CID 118394328) is 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is Cc1csc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)ccc2C(F)(F)F)n1.NC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n(-c3ccccc3)n2)nc1.
What is the InChIKey of 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is WWJDBPHHQBSSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N5O2.C22H17F3N4OS/c24-17-10-14(23(25,26)27)7-8-16(17)22(34)30-20-11-19(18-9-6-13(12-29-18)21(28)33)31-32(20)15-4-2-1-3-5-15;1-13-10-19(29(28-13)16-6-4-3-5-7-16)27-20(30)15-8-9-18(22(23,24)25)17(11-15)21-26-14(2)12-31-21/h1-12H,(H2,28,33)(H,30,34);3-12H,1-2H3,(H,27,30).
What are the key properties of 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 928.32 g/mol, XLogP of 10.84, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide;N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118394328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).