N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

C20H15FN4O — CID 71128084

IUPACN-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3cc(F)cc4[nH]ncc34)cc2cn1)C1CC1
InChIInChI=1S/C20H15FN4O/c21-15-7-16(17-10-23-25-18(17)8-15)13-4-3-12-6-19(22-9-14(12)5-13)24-20(26)11-1-2-11/h3-11H,1-2H2,(H,23,25)(H,22,24,26)
InChIKeyQETXJUHOKNLFQW-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.27
Rot. Bonds3

About N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 71128084) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID71128084
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC NameN-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3cc(F)cc4[nH]ncc34)cc2cn1)C1CC1
InChIInChI=1S/C20H15FN4O/c21-15-7-16(17-10-23-25-18(17)8-15)13-4-3-12-6-19(22-9-14(12)5-13)24-20(26)11-1-2-11/h3-11H,1-2H2,(H,23,25)(H,22,24,26)
InChIKeyQETXJUHOKNLFQW-UHFFFAOYSA-N
XLogP4.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 71128084) is N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is O=C(Nc1cc2ccc(-c3cc(F)cc4[nH]ncc34)cc2cn1)C1CC1.
What is the InChIKey of N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is QETXJUHOKNLFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-15-7-16(17-10-23-25-18(17)8-15)13-4-3-12-6-19(22-9-14(12)5-13)24-20(26)11-1-2-11/h3-11H,1-2H2,(H,23,25)(H,22,24,26).
What are the key properties of N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 346.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(6-fluoro-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71128084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).