N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide

C20H18FN3O2 — CID 71115071

IUPACN-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cnc(CO)c1F
InChIInChI=1S/C20H18FN3O2/c1-11-16(9-22-17(10-25)19(11)21)14-5-4-13-7-18(23-8-15(13)6-14)24-20(26)12-2-3-12/h4-9,12,25H,2-3,10H2,1H3,(H,23,24,26)
InChIKeyGLUGUUHXZDUMOL-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.59
Rot. Bonds4

About N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 71115071) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID71115071
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cnc(CO)c1F
InChIInChI=1S/C20H18FN3O2/c1-11-16(9-22-17(10-25)19(11)21)14-5-4-13-7-18(23-8-15(13)6-14)24-20(26)12-2-3-12/h4-9,12,25H,2-3,10H2,1H3,(H,23,24,26)
InChIKeyGLUGUUHXZDUMOL-UHFFFAOYSA-N
XLogP3.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (CID 71115071) is N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is Cc1c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cnc(CO)c1F.
What is the InChIKey of N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is GLUGUUHXZDUMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-11-16(9-22-17(10-25)19(11)21)14-5-4-13-7-18(23-8-15(13)6-14)24-20(26)12-2-3-12/h4-9,12,25H,2-3,10H2,1H3,(H,23,24,26).
What are the key properties of N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[5-fluoro-6-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).