7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C20H15F3N4O3 — CID 70106225

IUPAC7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNC1C2CNCC12c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F
InChIInChI=1S/C20H15F3N4O3/c21-8-1-2-14(12(22)3-8)27-6-10(19(29)30)15(28)9-4-13(23)17(26-18(9)27)20-7-25-5-11(20)16(20)24/h1-4,6,11,16,25H,5,7,24H2,(H,29,30)
InChIKeyPJNYVEYGTVTFON-UHFFFAOYSA-N
MW416.36 g/mol
LogP1.30
Rot. Bonds3

About 7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 70106225) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is 7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID70106225
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC Name7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNC1C2CNCC12c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F
InChIInChI=1S/C20H15F3N4O3/c21-8-1-2-14(12(22)3-8)27-6-10(19(29)30)15(28)9-4-13(23)17(26-18(9)27)20-7-25-5-11(20)16(20)24/h1-4,6,11,16,25H,5,7,24H2,(H,29,30)
InChIKeyPJNYVEYGTVTFON-UHFFFAOYSA-N
XLogP1.30
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 70106225) is 7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is NC1C2CNCC12c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F.
What is the InChIKey of 7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is PJNYVEYGTVTFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c21-8-1-2-14(12(22)3-8)27-6-10(19(29)30)15(28)9-4-13(23)17(26-18(9)27)20-7-25-5-11(20)16(20)24/h1-4,6,11,16,25H,5,7,24H2,(H,29,30).
What are the key properties of 7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 416.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 70106225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).