7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one

C20H17F3N4O — CID 59972012

IUPAC7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one
SMILESCc1cn(-c2ccc(F)cc2F)c2nc(N3C[C@@H]4C(N)[C@@H]4C3)c(F)cc2c1=O
InChIInChI=1S/C20H17F3N4O/c1-9-6-27(16-3-2-10(21)4-14(16)22)19-11(18(9)28)5-15(23)20(25-19)26-7-12-13(8-26)17(12)24/h2-6,12-13,17H,7-8,24H2,1H3/t12-,13+,17?
InChIKeyDQHQBMIDBBDGAC-MPYYAJLASA-N
MW386.38 g/mol
LogP2.50
Rot. Bonds2

About 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one

7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one (PubChem CID 59972012) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one
PubChem CID59972012
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one
SMILESCc1cn(-c2ccc(F)cc2F)c2nc(N3C[C@@H]4C(N)[C@@H]4C3)c(F)cc2c1=O
InChIInChI=1S/C20H17F3N4O/c1-9-6-27(16-3-2-10(21)4-14(16)22)19-11(18(9)28)5-15(23)20(25-19)26-7-12-13(8-26)17(12)24/h2-6,12-13,17H,7-8,24H2,1H3/t12-,13+,17?
InChIKeyDQHQBMIDBBDGAC-MPYYAJLASA-N
XLogP2.50
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one with MolForge

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Related Compounds

7-[(1R,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 98079436
7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one
CID 91448764
bis(7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid);methanesulfonic acid
CID 173332414
7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 87098565
7-(3-amino-4-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57248114
7-[(1R,5R,6S)-5-amino-3-azabicyclo[4.1.0]heptan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67789146
7-[(1S,5R)-6-[[(2S)-2-aminopropanoyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67916923
7-(4-amino-3,3-dimethylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 139625044
7-[(1S,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70207350
7-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;4-methylbenzenesulfonic acid
CID 76965883
1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-3-yl-1,8-naphthyridine-3-carboxylic acid
CID 163789812
7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[(8E)-8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 172940503

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one (CID 59972012) is 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one is Cc1cn(-c2ccc(F)cc2F)c2nc(N3C[C@@H]4C(N)[C@@H]4C3)c(F)cc2c1=O.
What is the InChIKey of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one?
The InChIKey is DQHQBMIDBBDGAC-MPYYAJLASA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-9-6-27(16-3-2-10(21)4-14(16)22)19-11(18(9)28)5-15(23)20(25-19)26-7-12-13(8-26)17(12)24/h2-6,12-13,17H,7-8,24H2,1H3/t12-,13+,17?.
What are the key properties of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one?
7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one has a molecular weight of 386.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 59972012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).