4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide

C20H11Cl2F3N6O2 — CID 167472651

IUPAC4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2c(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C20H11Cl2F3N6O2/c21-10-5-3-7-27-18(10)31-12(8-13(30-31)20(23,24)25)19(33)29-15-14(22)9-4-1-2-6-11(9)28-16(15)17(26)32/h1-8H,(H2,26,32)(H,29,33)
InChIKeyNKSIKIAEGLIMQO-UHFFFAOYSA-N
MW495.25 g/mol
LogP4.49
Rot. Bonds4

About 4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide

4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide (PubChem CID 167472651) has the molecular formula C20H11Cl2F3N6O2 and a molecular weight of 495.25 g/mol. Its IUPAC name is 4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide
PubChem CID167472651
Molecular FormulaC20H11Cl2F3N6O2
Molecular Weight495.25 g/mol
Exact Mass494.03
IUPAC Name4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2c(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C20H11Cl2F3N6O2/c21-10-5-3-7-27-18(10)31-12(8-13(30-31)20(23,24)25)19(33)29-15-14(22)9-4-1-2-6-11(9)28-16(15)17(26)32/h1-8H,(H2,26,32)(H,29,33)
InChIKeyNKSIKIAEGLIMQO-UHFFFAOYSA-N
XLogP4.49
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.25
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide with MolForge

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Related Compounds

3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide
CID 167472699
N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162603274
N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 70840797
N-[1-bromo-3-(methylcarbamoyl)naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59514625
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 18446928
6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-7-ethenyl-N-methylquinoline-5-carboxamide
CID 162554052
1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 87459787
N-[1-chloro-3-[(2-ethylsulfanyl-2-methylpropyl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59022751
N-[2-[amino(formyl)amino]-6-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 175374719
N-[2-chloro-6-(cyclobutylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59393576
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 4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide (CID 167472651) is 4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide is NC(=O)c1nc2ccccc2c(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of 4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide?
The InChIKey is NKSIKIAEGLIMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F3N6O2/c21-10-5-3-7-27-18(10)31-12(8-13(30-31)20(23,24)25)19(33)29-15-14(22)9-4-1-2-6-11(9)28-16(15)17(26)32/h1-8H,(H2,26,32)(H,29,33).
What are the key properties of 4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide?
4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide has a molecular weight of 495.25 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide is sourced from PubChem (CID 167472651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).