6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid

C20H16FN5O8 — CID 24882688

IUPAC6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
SMILESCC1COc2c(N3CCn4cc(C(=O)O)nc4C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23
InChIInChI=1S/C20H16FN5O8/c1-8-7-34-18-15-12(17(27)9(19(28)29)4-25(8)15)14(26(32)33)13(21)16(18)24-3-2-23-5-10(20(30)31)22-11(23)6-24/h4-5,8H,2-3,6-7H2,1H3,(H,28,29)(H,30,31)
InChIKeyFIXBJJTYFIJIJA-UHFFFAOYSA-N
MW473.37 g/mol
LogP1.62
Rot. Bonds4

About 6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid

6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid (PubChem CID 24882688) has the molecular formula C20H16FN5O8 and a molecular weight of 473.37 g/mol. Its IUPAC name is 6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid.

Molecular Properties

Compound Name6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
PubChem CID24882688
Molecular FormulaC20H16FN5O8
Molecular Weight473.37 g/mol
Exact Mass473.10
IUPAC Name6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
SMILESCC1COc2c(N3CCn4cc(C(=O)O)nc4C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23
InChIInChI=1S/C20H16FN5O8/c1-8-7-34-18-15-12(17(27)9(19(28)29)4-25(8)15)14(26(32)33)13(21)16(18)24-3-2-23-5-10(20(30)31)22-11(23)6-24/h4-5,8H,2-3,6-7H2,1H3,(H,28,29)(H,30,31)
InChIKeyFIXBJJTYFIJIJA-UHFFFAOYSA-N
XLogP1.62
TPSA170.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid with MolForge

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Related Compounds

(2S)-8-amino-7-fluoro-6-(3-imidazol-1-ylpropylamino)-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 57391252
8-amino-6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 44454276
6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 44454307
1-Cyclopropyl-6-fluoro-8-methoxy-7-[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 126540257
7-(2-carboxy-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-1-cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-5-nitro-4-oxoquinoline-3-carboxylic acid
CID 44452258
7-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid
CID 44452289
7-[3-[[3-(2-Chloro-4-nitroimidazol-1-yl)-2-hydroxypropyl]-methylamino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 73335260
7-[(4aS,7aS)-1-[(2R)-2-hydroxy-3-(2-methyl-5-nitroimidazol-1-yl)propyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 73335362
7-[4-[3-(2-Chloro-4-nitroimidazol-1-yl)-2-hydroxypropyl]piperazin-1-yl]-1-ethyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 156010652
1-cyclopropyl-6-fluoro-7-[4-[(2S)-2-hydroxy-3-(2-methyl-4-nitroimidazol-1-yl)propyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 156011343
1-Cyclopropyl-6-fluoro-7-[3-[[2-hydroxy-3-(2-methyl-4-nitroimidazol-1-yl)propyl]-methylamino]piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 156011780
1-Cyclopropyl-6-fluoro-7-[4-[2-hydroxy-3-(2-methyl-4-nitroimidazol-1-yl)propyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 156012843

Frequently Asked Questions

What is the IUPAC name of 6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?
The IUPAC name of 6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid (CID 24882688) is 6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid.
What is the SMILES notation for 6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?
The canonical SMILES for 6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid is CC1COc2c(N3CCn4cc(C(=O)O)nc4C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23.
What is the InChIKey of 6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?
The InChIKey is FIXBJJTYFIJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O8/c1-8-7-34-18-15-12(17(27)9(19(28)29)4-25(8)15)14(26(32)33)13(21)16(18)24-3-2-23-5-10(20(30)31)22-11(23)6-24/h4-5,8H,2-3,6-7H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?
6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid has a molecular weight of 473.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-7-fluoro-2-methyl-8-nitro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid is sourced from PubChem (CID 24882688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).