N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

C19H17FN4O — CID 135342326

IUPACN-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)c1F
InChIInChI=1S/C19H17FN4O/c1-10-4-5-22-8-14(10)13-6-12-7-16(24-19(25)11-2-3-11)23-9-15(12)18(21)17(13)20/h4-9,11H,2-3,21H2,1H3,(H,23,24,25)
InChIKeyXWRWVMAYURYDBO-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.68
Rot. Bonds3

About N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 135342326) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID135342326
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)c1F
InChIInChI=1S/C19H17FN4O/c1-10-4-5-22-8-14(10)13-6-12-7-16(24-19(25)11-2-3-11)23-9-15(12)18(21)17(13)20/h4-9,11H,2-3,21H2,1H3,(H,23,24,25)
InChIKeyXWRWVMAYURYDBO-UHFFFAOYSA-N
XLogP3.68
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 135342326) is N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1ccncc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)c1F.
What is the InChIKey of N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is XWRWVMAYURYDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-10-4-5-22-8-14(10)13-6-12-7-16(24-19(25)11-2-3-11)23-9-15(12)18(21)17(13)20/h4-9,11H,2-3,21H2,1H3,(H,23,24,25).
What are the key properties of N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135342326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).