N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide

C20H16N4O — CID 57410850

IUPACN-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3ccc4cn[nH]c4c3)cc2cn1)C1CC1
InChIInChI=1S/C20H16N4O/c25-20(12-1-2-12)23-19-9-15-4-3-13(7-17(15)10-21-19)14-5-6-16-11-22-24-18(16)8-14/h3-12H,1-2H2,(H,22,24)(H,21,23,25)
InChIKeyGKCDXLKOEUKFBB-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.13
Rot. Bonds3

About N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 57410850) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID57410850
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3ccc4cn[nH]c4c3)cc2cn1)C1CC1
InChIInChI=1S/C20H16N4O/c25-20(12-1-2-12)23-19-9-15-4-3-13(7-17(15)10-21-19)14-5-6-16-11-22-24-18(16)8-14/h3-12H,1-2H2,(H,22,24)(H,21,23,25)
InChIKeyGKCDXLKOEUKFBB-UHFFFAOYSA-N
XLogP4.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115252
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-[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
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 129169972
N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410357
N-[7-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115120
N-[7-[4-(nitrosomethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587711
4-[(dimethylamino)methyl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 163798960

Frequently Asked Questions

What is the IUPAC name of N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 57410850) is N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide is O=C(Nc1cc2ccc(-c3ccc4cn[nH]c4c3)cc2cn1)C1CC1.
What is the InChIKey of N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is GKCDXLKOEUKFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(12-1-2-12)23-19-9-15-4-3-13(7-17(15)10-21-19)14-5-6-16-11-22-24-18(16)8-14/h3-12H,1-2H2,(H,22,24)(H,21,23,25).
What are the key properties of N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57410850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).