(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide

C19H15F2N3O — CID 71115800

IUPAC(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1ccc2cc(NC(=O)[C@@H]3CC3(F)F)ncc2c1
InChIInChI=1S/C19H15F2N3O/c1-11-4-5-22-10-15(11)13-3-2-12-7-17(23-9-14(12)6-13)24-18(25)16-8-19(16,20)21/h2-7,9-10,16H,8H2,1H3,(H,23,24,25)/t16-/m0/s1
InChIKeyDMUUIELIZUQQGM-INIZCTEOSA-N
MW339.35 g/mol
LogP4.20
Rot. Bonds3

About (1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide

(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide (PubChem CID 71115800) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is (1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
PubChem CID71115800
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1ccc2cc(NC(=O)[C@@H]3CC3(F)F)ncc2c1
InChIInChI=1S/C19H15F2N3O/c1-11-4-5-22-10-15(11)13-3-2-12-7-17(23-9-14(12)6-13)24-18(25)16-8-19(16,20)21/h2-7,9-10,16H,8H2,1H3,(H,23,24,25)/t16-/m0/s1
InChIKeyDMUUIELIZUQQGM-INIZCTEOSA-N
XLogP4.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2R)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115022
2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 123303699
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
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-[4-(nitrosomethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587711
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
N-[7-(6-formyl-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 86674946
N-[7-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115120
N-[8-chloro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 175946191
N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115252

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide (CID 71115800) is (1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide is Cc1ccncc1-c1ccc2cc(NC(=O)[C@@H]3CC3(F)F)ncc2c1.
What is the InChIKey of (1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is DMUUIELIZUQQGM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15F2N3O/c1-11-4-5-22-10-15(11)13-3-2-12-7-17(23-9-14(12)6-13)24-18(25)16-8-19(16,20)21/h2-7,9-10,16H,8H2,1H3,(H,23,24,25)/t16-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71115800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).