N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H13ClF3N5O2 — CID 134609765

IUPACN-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ncc(NC(=O)c2cnn(-c3cncc4ccccc34)c2C(F)(F)F)cc1Cl
InChIInChI=1S/C20H13ClF3N5O2/c1-31-19-15(21)6-12(8-26-19)28-18(30)14-9-27-29(17(14)20(22,23)24)16-10-25-7-11-4-2-3-5-13(11)16/h2-10H,1H3,(H,28,30)
InChIKeyZKIVTCLPGPZKRH-UHFFFAOYSA-N
MW447.80 g/mol
LogP4.75
Rot. Bonds4

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

N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609765) has the molecular formula C20H13ClF3N5O2 and a molecular weight of 447.80 g/mol. Its IUPAC name is N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609765
Molecular FormulaC20H13ClF3N5O2
Molecular Weight447.80 g/mol
Exact Mass447.07
IUPAC NameN-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ncc(NC(=O)c2cnn(-c3cncc4ccccc34)c2C(F)(F)F)cc1Cl
InChIInChI=1S/C20H13ClF3N5O2/c1-31-19-15(21)6-12(8-26-19)28-18(30)14-9-27-29(17(14)20(22,23)24)16-10-25-7-11-4-2-3-5-13(11)16/h2-10H,1H3,(H,28,30)
InChIKeyZKIVTCLPGPZKRH-UHFFFAOYSA-N
XLogP4.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide
CID 162673340
N-(8-chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609748
methyl 6-chloro-4-(1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinate
CID 134609752
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(2-methoxyquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609760
N-(5-chloro-6-cyclopropoxypyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609801
N-(5-chloro-6-methoxypyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609836
N-(8-chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609855
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(2-methoxyquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609877
N-(5-cyano-6-methoxypyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609911
N-(5-cyano-6-((1-methylpiperidin-4-yl)oxy)pyridin-3-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609919
N-(5-cyano-6-ethoxypyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609930
N-(5-cyano-6-methoxypyridin-3-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609958

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609765) is N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ncc(NC(=O)c2cnn(-c3cncc4ccccc34)c2C(F)(F)F)cc1Cl.
What is the InChIKey of N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZKIVTCLPGPZKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5O2/c1-31-19-15(21)6-12(8-26-19)28-18(30)14-9-27-29(17(14)20(22,23)24)16-10-25-7-11-4-2-3-5-13(11)16/h2-10H,1H3,(H,28,30).
What are the key properties of N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 447.80 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methoxy-3-pyridinyl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).