N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

C19H13FN4O — CID 57410357

IUPACN-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESN#Cc1ncc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C19H13FN4O/c20-15-7-16(17(8-21)22-10-15)13-4-3-12-6-18(23-9-14(12)5-13)24-19(25)11-1-2-11/h3-7,9-11H,1-2H2,(H,23,24,25)
InChIKeyWYUGFLWTSZRHGP-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.66
Rot. Bonds3

About N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 57410357) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID57410357
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC NameN-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESN#Cc1ncc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C19H13FN4O/c20-15-7-16(17(8-21)22-10-15)13-4-3-12-6-18(23-9-14(12)5-13)24-19(25)11-1-2-11/h3-7,9-11H,1-2H2,(H,23,24,25)
InChIKeyWYUGFLWTSZRHGP-UHFFFAOYSA-N
XLogP3.66
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide 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-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
7-(2-chloro-5-fluoro-3-pyridinyl)-N-(1-cyclopropylethenyl)isoquinolin-3-amine
CID 129169917
N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115252
methyl 4-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-2-fluoro-5-methylbenzoate
CID 67974657
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410850
N-[7-(6-formyl-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 86674946
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 71134963
N-[7-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115120

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 57410357) is N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is N#Cc1ncc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is WYUGFLWTSZRHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-15-7-16(17(8-21)22-10-15)13-4-3-12-6-18(23-9-14(12)5-13)24-19(25)11-1-2-11/h3-7,9-11H,1-2H2,(H,23,24,25).
What are the key properties of N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 332.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57410357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).