N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

C21H18N4O — CID 57411442

IUPACN-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C21H18N4O/c1-12-2-7-18-17(11-23-25-18)20(12)15-6-5-14-9-19(22-10-16(14)8-15)24-21(26)13-3-4-13/h2,5-11,13H,3-4H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyNNRHKWUPNDZNRT-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.44
Rot. Bonds3

About N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 57411442) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID57411442
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C21H18N4O/c1-12-2-7-18-17(11-23-25-18)20(12)15-6-5-14-9-19(22-10-16(14)8-15)24-21(26)13-3-4-13/h2,5-11,13H,3-4H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyNNRHKWUPNDZNRT-UHFFFAOYSA-N
XLogP4.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 57411442) is N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is NNRHKWUPNDZNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-12-2-7-18-17(11-23-25-18)20(12)15-6-5-14-9-19(22-10-16(14)8-15)24-21(26)13-3-4-13/h2,5-11,13H,3-4H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57411442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).