N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H10F4N6O — CID 134610015

IUPACN-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1ncc(NC(=O)c2cnn(-c3cncc4ccccc34)c2C(F)(F)F)cc1F
InChIInChI=1S/C20H10F4N6O/c21-15-5-12(8-27-16(15)6-25)29-19(31)14-9-28-30(18(14)20(22,23)24)17-10-26-7-11-3-1-2-4-13(11)17/h1-5,7-10H,(H,29,31)
InChIKeyQYUAIYBMMGIZIC-UHFFFAOYSA-N
MW426.33 g/mol
LogP4.10
Rot. Bonds3

About N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134610015) has the molecular formula C20H10F4N6O and a molecular weight of 426.33 g/mol. Its IUPAC name is N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134610015
Molecular FormulaC20H10F4N6O
Molecular Weight426.33 g/mol
Exact Mass426.09
IUPAC NameN-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1ncc(NC(=O)c2cnn(-c3cncc4ccccc34)c2C(F)(F)F)cc1F
InChIInChI=1S/C20H10F4N6O/c21-15-5-12(8-27-16(15)6-25)29-19(31)14-9-28-30(18(14)20(22,23)24)17-10-26-7-11-3-1-2-4-13(11)17/h1-5,7-10H,(H,29,31)
InChIKeyQYUAIYBMMGIZIC-UHFFFAOYSA-N
XLogP4.10
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134610015) is N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1ncc(NC(=O)c2cnn(-c3cncc4ccccc34)c2C(F)(F)F)cc1F.
What is the InChIKey of N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is QYUAIYBMMGIZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F4N6O/c21-15-5-12(8-27-16(15)6-25)29-19(31)14-9-28-30(18(14)20(22,23)24)17-10-26-7-11-3-1-2-4-13(11)17/h1-5,7-10H,(H,29,31).
What are the key properties of N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 426.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-5-fluoro-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134610015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).