N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H11F3N6O — CID 134609737

IUPACN-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cncc(NC(=O)c2cnn(-c3cncc4ccccc34)c2C(F)(F)F)c1
InChIInChI=1S/C20H11F3N6O/c21-20(22,23)18-16(19(30)28-14-5-12(6-24)7-25-9-14)10-27-29(18)17-11-26-8-13-3-1-2-4-15(13)17/h1-5,7-11H,(H,28,30)
InChIKeyCDEXFVCMJZTKKD-UHFFFAOYSA-N
MW408.34 g/mol
LogP3.96
Rot. Bonds3

About N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609737) has the molecular formula C20H11F3N6O and a molecular weight of 408.34 g/mol. Its IUPAC name is N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609737
Molecular FormulaC20H11F3N6O
Molecular Weight408.34 g/mol
Exact Mass408.09
IUPAC NameN-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cncc(NC(=O)c2cnn(-c3cncc4ccccc34)c2C(F)(F)F)c1
InChIInChI=1S/C20H11F3N6O/c21-20(22,23)18-16(19(30)28-14-5-12(6-24)7-25-9-14)10-27-29(18)17-11-26-8-13-3-1-2-4-15(13)17/h1-5,7-11H,(H,28,30)
InChIKeyCDEXFVCMJZTKKD-UHFFFAOYSA-N
XLogP3.96
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
N-(5-Isoquinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 9908720
2-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]-N-(6-fluoro-3-pyridinyl)acetamide
CID 168292938
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(5-oxo-2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 91933937
6-[5-[[2-Fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridin-3-yl]pyridine-3-carboxamide
CID 118411511
5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654559
1-(2-(pyridin-4-yl)ethyl)-N-(quinolin-3-yl)-1H-pyrazole-5-carboxamide
CID 44431907
1-methyl-4-(pyridin-4-ylmethylamino)-N-(quinolin-3-yl)-1H-pyrazole-5-carboxamide
CID 44439479
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)isonicotinamide
CID 52944428
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)nicotinamide
CID 52949345
N-[[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-6-fluoropyridine-3-carboxamide
CID 168285400
4-[[(1R,2S)-2-fluoro-2-methylcyclopentyl]amino]-6-isoquinolin-4-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68358720

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609737) is N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1cncc(NC(=O)c2cnn(-c3cncc4ccccc34)c2C(F)(F)F)c1.
What is the InChIKey of N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CDEXFVCMJZTKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N6O/c21-20(22,23)18-16(19(30)28-14-5-12(6-24)7-25-9-14)10-27-29(18)17-11-26-8-13-3-1-2-4-15(13)17/h1-5,7-11H,(H,28,30).
What are the key properties of N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 408.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).