2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide

C20H17F2N3O2 — CID 78012779

IUPAC2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide
SMILESCc1c(F)cnc(CO)c1-c1ccc2cc(NC(=O)C3CC3F)ncc2c1
InChIInChI=1S/C20H17F2N3O2/c1-10-16(22)8-23-17(9-26)19(10)12-3-2-11-5-18(24-7-13(11)4-12)25-20(27)14-6-15(14)21/h2-5,7-8,14-15,26H,6,9H2,1H3,(H,24,25,27)
InChIKeyHOKONDIZXUTHQQ-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.53
Rot. Bonds4

About 2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide

2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide (PubChem CID 78012779) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide
PubChem CID78012779
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide
SMILESCc1c(F)cnc(CO)c1-c1ccc2cc(NC(=O)C3CC3F)ncc2c1
InChIInChI=1S/C20H17F2N3O2/c1-10-16(22)8-23-17(9-26)19(10)12-3-2-11-5-18(24-7-13(11)4-12)25-20(27)14-6-15(14)21/h2-5,7-8,14-15,26H,6,9H2,1H3,(H,24,25,27)
InChIKeyHOKONDIZXUTHQQ-UHFFFAOYSA-N
XLogP3.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(7-(5-fluoro-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974814
N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide
CID 66576336
N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
CID 71462032
N-[7-[5-(1-hydroxyethyl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410976
N-[7-[5-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410980
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-[6-[(1R)-1-hydroxyethyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411327
N-[7-[6-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411328
7-(Cyclopropanecarboxamido)-3-(5-fluoro-2-methylphenyl)-1-methyl-2,6-naphthyridine 2-oxide
CID 57411677
3-(5-Fluoro-2-methylphenyl)-7-(cyclopropanecarboxamido)-2,6-naphthyridine 2-oxide
CID 67974365
N-(7-(5-fluoro-2-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974368
N-(7-(5-fluoro-2-methylphenyl)-5-(fluoromethyl)-2,6-naphthyridin-3-yl)cyclopropanecarboxamide
CID 67974549

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide (CID 78012779) is 2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide is Cc1c(F)cnc(CO)c1-c1ccc2cc(NC(=O)C3CC3F)ncc2c1.
What is the InChIKey of 2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is HOKONDIZXUTHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-10-16(22)8-23-17(9-26)19(10)12-3-2-11-5-18(24-7-13(11)4-12)25-20(27)14-6-15(14)21/h2-5,7-8,14-15,26H,6,9H2,1H3,(H,24,25,27).
What are the key properties of 2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[7-[5-fluoro-2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78012779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).