1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C23H27FN4O5 — CID 67789039

IUPAC1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESC[C@@H]1N(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]2C[C@@]21NC(=O)OC(C)(C)C
InChIInChI=1S/C23H27FN4O5/c1-11-23(26-21(32)33-22(2,3)4)8-12(23)9-27(11)19-16(24)7-14-17(29)15(20(30)31)10-28(13-5-6-13)18(14)25-19/h7,10-13H,5-6,8-9H2,1-4H3,(H,26,32)(H,30,31)/t11-,12-,23-/m0/s1
InChIKeyBDBOSBMSYYATFX-RSPIHXBNSA-N
MW458.49 g/mol
LogP3.06
Rot. Bonds4

About 1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 67789039) has the molecular formula C23H27FN4O5 and a molecular weight of 458.49 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID67789039
Molecular FormulaC23H27FN4O5
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC Name1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESC[C@@H]1N(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]2C[C@@]21NC(=O)OC(C)(C)C
InChIInChI=1S/C23H27FN4O5/c1-11-23(26-21(32)33-22(2,3)4)8-12(23)9-27(11)19-16(24)7-14-17(29)15(20(30)31)10-28(13-5-6-13)18(14)25-19/h7,10-13H,5-6,8-9H2,1-4H3,(H,26,32)(H,30,31)/t11-,12-,23-/m0/s1
InChIKeyBDBOSBMSYYATFX-RSPIHXBNSA-N
XLogP3.06
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10053152
1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70462520
1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57298346
7-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 15713457
1-(2,4-difluorophenyl)-6-fluoro-7-[(1R,6R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[4.1.0]heptan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67790058
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
1-cyclopropyl-6-fluoro-8-methoxy-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-4-oxoquinoline-3-carboxylic acid
CID 19072250
1-cyclopropyl-6-fluoro-7-[(1S,5S,6S)-6-hydroxy-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67764507
7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 139740905
1-cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 75106410
7-[3-(aminomethyl)-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54353867
1-cyclopropyl-6-fluoro-4-oxo-7-[(3S)-3-(propan-2-yloxycarbonylamino)pyrrolidin-1-yl]-1,8-naphthyridine-3-carboxylic acid
CID 139803404

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 67789039) is 1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is C[C@@H]1N(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]2C[C@@]21NC(=O)OC(C)(C)C.
What is the InChIKey of 1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is BDBOSBMSYYATFX-RSPIHXBNSA-N. The full InChI is InChI=1S/C23H27FN4O5/c1-11-23(26-21(32)33-22(2,3)4)8-12(23)9-27(11)19-16(24)7-14-17(29)15(20(30)31)10-28(13-5-6-13)18(14)25-19/h7,10-13H,5-6,8-9H2,1-4H3,(H,26,32)(H,30,31)/t11-,12-,23-/m0/s1.
What are the key properties of 1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 458.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 67789039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).