1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

C20H11F6N5O2 — CID 175432579

IUPAC1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccc3[nH]c(=O)ccc23)c1C(F)(F)F
InChIInChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(6-7-27-15)29-18(33)12-9-28-31(17(12)20(24,25)26)14-3-1-2-13-11(14)4-5-16(32)30-13/h1-9H,(H,30,32)(H,27,29,33)
InChIKeyHOTKAVAQPOSIJE-UHFFFAOYSA-N
MW467.33 g/mol
LogP4.40
Rot. Bonds3

About 1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (PubChem CID 175432579) has the molecular formula C20H11F6N5O2 and a molecular weight of 467.33 g/mol. Its IUPAC name is 1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
PubChem CID175432579
Molecular FormulaC20H11F6N5O2
Molecular Weight467.33 g/mol
Exact Mass467.08
IUPAC Name1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccc3[nH]c(=O)ccc23)c1C(F)(F)F
InChIInChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(6-7-27-15)29-18(33)12-9-28-31(17(12)20(24,25)26)14-3-1-2-13-11(14)4-5-16(32)30-13/h1-9H,(H,30,32)(H,27,29,33)
InChIKeyHOTKAVAQPOSIJE-UHFFFAOYSA-N
XLogP4.40
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-indol-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 168877782
1-quinolin-5-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134610182
N-[2-[difluoro(hydroxy)methyl]-4-pyridinyl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167240482
1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134609753
1-(2-methyl-[1,2,4]triazolo[5,1-a]isoquinolin-7-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 167240115
1-(2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaen-7-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 168966693
N-[2-[difluoro(methoxy)methyl]-4-pyridinyl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167240510
1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 168877829
5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]pyrazole-4-carboxamide
CID 168877799
4-[5-(trifluoromethyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 146279686
5-(fluoromethyl)-1-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 154685381
N-[3-chloro-4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 137277273

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (CID 175432579) is 1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is O=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccc3[nH]c(=O)ccc23)c1C(F)(F)F.
What is the InChIKey of 1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is HOTKAVAQPOSIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(6-7-27-15)29-18(33)12-9-28-31(17(12)20(24,25)26)14-3-1-2-13-11(14)4-5-16(32)30-13/h1-9H,(H,30,32)(H,27,29,33).
What are the key properties of 1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 467.33 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 175432579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).