(1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one

C13H13FN2O2 — CID 167527817

IUPAC(1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC(=O)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(F)c1C
InChIInChI=1S/C13H13FN2O2/c1-6-10(7(2)17)4-15-12(11(6)14)16-5-8-3-9(8)13(16)18/h4,8-9H,3,5H2,1-2H3/t8-,9-/m1/s1
InChIKeyVRXUSQUNKIRKNV-RKDXNWHRSA-N
MW248.26 g/mol
LogP1.71
Rot. Bonds2

About (1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one

(1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 167527817) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is (1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID167527817
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name(1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC(=O)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(F)c1C
InChIInChI=1S/C13H13FN2O2/c1-6-10(7(2)17)4-15-12(11(6)14)16-5-8-3-9(8)13(16)18/h4,8-9H,3,5H2,1-2H3/t8-,9-/m1/s1
InChIKeyVRXUSQUNKIRKNV-RKDXNWHRSA-N
XLogP1.71
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(2-cyano-5-methylphenyl)cyclobutyl]-1-[1-[5-fluoro-4-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]ethyl]triazole-4-carboxamide
CID 166938347
3-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[5-fluoro-4-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 169081996
1-[1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]ethyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175895168
6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[5-chloro-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]ethyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide
CID 162520166
3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 175938726
(1R,5S)-3-[5-[1-(4-aminopyrazol-1-yl)ethyl]-3-fluoro-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 167527822
6-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 168679555
6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 162520063
6-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-3-methyl-N-[1-[(1S)-1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 162520300
6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-3-methyl-N-[1-[(1R)-1-[4-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-[1,3]dioxolo[4,5-c]pyridin-7-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 175938718
3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 84777227
1-(3,4,5-trifluoro-2-methylphenyl)ethanone
CID 20552321

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one (CID 167527817) is (1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one is CC(=O)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(F)c1C.
What is the InChIKey of (1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is VRXUSQUNKIRKNV-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-6-10(7(2)17)4-15-12(11(6)14)16-5-8-3-9(8)13(16)18/h4,8-9H,3,5H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one?
(1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 248.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(5-acetyl-3-fluoro-4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 167527817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).