6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide

C23H16ClF3N6O2 — CID 162554052

IUPAC6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide
SMILESC=Cc1cc2ncccc2c(C(=O)NC)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C23H16ClF3N6O2/c1-3-12-10-15-13(6-4-8-29-15)18(22(35)28-2)19(12)31-21(34)16-11-17(23(25,26)27)32-33(16)20-14(24)7-5-9-30-20/h3-11H,1H2,2H3,(H,28,35)(H,31,34)
InChIKeyFSGRPACWGBMEEI-UHFFFAOYSA-N
MW500.87 g/mol
LogP4.74
Rot. Bonds5

About 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide

6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide (PubChem CID 162554052) has the molecular formula C23H16ClF3N6O2 and a molecular weight of 500.87 g/mol. Its IUPAC name is 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide.

Molecular Properties

Compound Name6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide
PubChem CID162554052
Molecular FormulaC23H16ClF3N6O2
Molecular Weight500.87 g/mol
Exact Mass500.10
IUPAC Name6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide
SMILESC=Cc1cc2ncccc2c(C(=O)NC)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C23H16ClF3N6O2/c1-3-12-10-15-13(6-4-8-29-15)18(22(35)28-2)19(12)31-21(34)16-11-17(23(25,26)27)32-33(16)20-14(24)7-5-9-30-20/h3-11H,1H2,2H3,(H,28,35)(H,31,34)
InChIKeyFSGRPACWGBMEEI-UHFFFAOYSA-N
XLogP4.74
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.87
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-bromo-3-(methylcarbamoyl)naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59514625
4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide
CID 167472651
1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-[hydroxy(methylamino)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 163641538
N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162603274
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
CID 159513798
N-[2-[amino(formyl)amino]-6-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 175374719
5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylbenzoyl chloride
CID 118471380
N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 70840797
1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 87459787
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
N-(4-chloro-2-methyl-6-methylsulfinylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 139391840
amino-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3,5-dimethylbenzoyl]azanide;ethane;methanol;yttrium
CID 145498277

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide?
The IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide (CID 162554052) is 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide.
What is the SMILES notation for 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide?
The canonical SMILES for 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide is C=Cc1cc2ncccc2c(C(=O)NC)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide?
The InChIKey is FSGRPACWGBMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N6O2/c1-3-12-10-15-13(6-4-8-29-15)18(22(35)28-2)19(12)31-21(34)16-11-17(23(25,26)27)32-33(16)20-14(24)7-5-9-30-20/h3-11H,1H2,2H3,(H,28,35)(H,31,34).
What are the key properties of 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide?
6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide has a molecular weight of 500.87 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide is sourced from PubChem (CID 162554052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).