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

C19H15F3N4O — CID 91448764

IUPAC7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one
SMILESNC1C2CN(c3nc4c(cc3F)c(=O)ccn4-c3ccc(F)cc3F)CC12
InChIInChI=1S/C19H15F3N4O/c20-9-1-2-15(13(21)5-9)26-4-3-16(27)10-6-14(22)19(24-18(10)26)25-7-11-12(8-25)17(11)23/h1-6,11-12,17H,7-8,23H2
InChIKeyIOMCPBMERSDNQS-UHFFFAOYSA-N
MW372.35 g/mol
LogP2.20
Rot. Bonds2

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

7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one (PubChem CID 91448764) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one
PubChem CID91448764
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one
SMILESNC1C2CN(c3nc4c(cc3F)c(=O)ccn4-c3ccc(F)cc3F)CC12
InChIInChI=1S/C19H15F3N4O/c20-9-1-2-15(13(21)5-9)26-4-3-16(27)10-6-14(22)19(24-18(10)26)25-7-11-12(8-25)17(11)23/h1-6,11-12,17H,7-8,23H2
InChIKeyIOMCPBMERSDNQS-UHFFFAOYSA-N
XLogP2.20
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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-[(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-(3-amino-4-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57248114
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-(3-amino-2,2,5,5-tetradeuteriopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 169447240
6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-5-fluoro-4-oxo-1,7-naphthyridine-3-carboxylic acid
CID 90226048
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-(4-amino-3,3-dimethylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 139625044
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-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one?
The IUPAC name of 7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one (CID 91448764) is 7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one?
The canonical SMILES for 7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one is NC1C2CN(c3nc4c(cc3F)c(=O)ccn4-c3ccc(F)cc3F)CC12.
What is the InChIKey of 7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one?
The InChIKey is IOMCPBMERSDNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-9-1-2-15(13(21)5-9)26-4-3-16(27)10-6-14(22)19(24-18(10)26)25-7-11-12(8-25)17(11)23/h1-6,11-12,17H,7-8,23H2.
What are the key properties of 7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one?
7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one has a molecular weight of 372.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one is sourced from PubChem (CID 91448764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).