N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

C20H11F6N5O2 — CID 175432623

IUPACN-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(Nc1cnn(-c2cccc3c(=O)[nH]ccc23)c1C(F)(F)F)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(4-6-27-15)17(32)30-13-9-29-31(16(13)20(24,25)26)14-3-1-2-12-11(14)5-7-28-18(12)33/h1-9H,(H,28,33)(H,30,32)
InChIKeyFLMQGFMPGFASPV-UHFFFAOYSA-N
MW467.33 g/mol
LogP4.40
Rot. Bonds3

About N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 175432623) has the molecular formula C20H11F6N5O2 and a molecular weight of 467.33 g/mol. Its IUPAC name is N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID175432623
Molecular FormulaC20H11F6N5O2
Molecular Weight467.33 g/mol
Exact Mass467.08
IUPAC NameN-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(Nc1cnn(-c2cccc3c(=O)[nH]ccc23)c1C(F)(F)F)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(4-6-27-15)17(32)30-13-9-29-31(16(13)20(24,25)26)14-3-1-2-12-11(14)5-7-28-18(12)33/h1-9H,(H,28,33)(H,30,32)
InChIKeyFLMQGFMPGFASPV-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

N-[2-[difluoro(hydroxy)methyl]-4-pyridinyl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167240482
5-(fluoromethyl)-1-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 154685381
N-[2-[difluoro(methoxy)methyl]-4-pyridinyl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167240510
1-(1H-indol-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 168877782
1-(1-oxo-2H-isoquinolin-5-yl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167240464
6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
CID 156577127
N-(2,1,3-benzothiadiazol-5-yl)-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167240073
methyl 6-chloro-4-[[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate
CID 177228243
2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide
CID 167952573
1-quinolin-5-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134610182
1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 175432579
N-(3-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 168877930

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 175432623) is N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide is O=C(Nc1cnn(-c2cccc3c(=O)[nH]ccc23)c1C(F)(F)F)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is FLMQGFMPGFASPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(4-6-27-15)17(32)30-13-9-29-31(16(13)20(24,25)26)14-3-1-2-12-11(14)5-7-28-18(12)33/h1-9H,(H,28,33)(H,30,32).
What are the key properties of N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-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 N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 175432623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).