[2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate

C21H25FN10O6 — CID 122662187

IUPAC[2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OC(CN=[N+]=[N-])OC(=O)OC(C)CN=[N+]=[N-])c(=O)c2cc(F)c(N3CCNCC3)nc21
InChIInChI=1S/C21H25FN10O6/c1-3-31-11-14(17(33)13-8-15(22)19(28-18(13)31)32-6-4-25-5-7-32)20(34)37-16(10-27-30-24)38-21(35)36-12(2)9-26-29-23/h8,11-12,16,25H,3-7,9-10H2,1-2H3
InChIKeyYUVJSYRWGJTGDP-UHFFFAOYSA-N
MW532.49 g/mol
LogP2.61
Rot. Bonds10

About [2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate

[2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 122662187) has the molecular formula C21H25FN10O6 and a molecular weight of 532.49 g/mol. Its IUPAC name is [2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
PubChem CID122662187
Molecular FormulaC21H25FN10O6
Molecular Weight532.49 g/mol
Exact Mass532.19
IUPAC Name[2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OC(CN=[N+]=[N-])OC(=O)OC(C)CN=[N+]=[N-])c(=O)c2cc(F)c(N3CCNCC3)nc21
InChIInChI=1S/C21H25FN10O6/c1-3-31-11-14(17(33)13-8-15(22)19(28-18(13)31)32-6-4-25-5-7-32)20(34)37-16(10-27-30-24)38-21(35)36-12(2)9-26-29-23/h8,11-12,16,25H,3-7,9-10H2,1-2H3
InChIKeyYUVJSYRWGJTGDP-UHFFFAOYSA-N
XLogP2.61
TPSA209.51 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of [2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate (CID 122662187) is [2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for [2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for [2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OC(CN=[N+]=[N-])OC(=O)OC(C)CN=[N+]=[N-])c(=O)c2cc(F)c(N3CCNCC3)nc21.
What is the InChIKey of [2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The InChIKey is YUVJSYRWGJTGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN10O6/c1-3-31-11-14(17(33)13-8-15(22)19(28-18(13)31)32-6-4-25-5-7-32)20(34)37-16(10-27-30-24)38-21(35)36-12(2)9-26-29-23/h8,11-12,16,25H,3-7,9-10H2,1-2H3.
What are the key properties of [2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
[2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 532.49 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 122662187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).