6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C26H27FN8O6S — CID 142434668

IUPAC6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCOCCOCCN(C)c1ccc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1
InChIInChI=1S/C26H27FN8O6S/c1-33(5-6-41-8-7-40-2)16-3-4-20(28-10-16)31-24(37)15-11-34(12-15)23-19(27)9-17-21(36)18(25(38)39)13-35(22(17)32-23)26-29-14-30-42-26/h3-4,9-10,13-15H,5-8,11-12H2,1-2H3,(H,38,39)(H,28,31,37)
InChIKeyPEKZMQCTEMVFFV-UHFFFAOYSA-N
MW598.62 g/mol
LogP1.64
Rot. Bonds12

About 6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434668) has the molecular formula C26H27FN8O6S and a molecular weight of 598.62 g/mol. Its IUPAC name is 6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434668
Molecular FormulaC26H27FN8O6S
Molecular Weight598.62 g/mol
Exact Mass598.18
IUPAC Name6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCOCCOCCN(C)c1ccc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1
InChIInChI=1S/C26H27FN8O6S/c1-33(5-6-41-8-7-40-2)16-3-4-20(28-10-16)31-24(37)15-11-34(12-15)23-19(27)9-17-21(36)18(25(38)39)13-35(22(17)32-23)26-29-14-30-42-26/h3-4,9-10,13-15H,5-8,11-12H2,1-2H3,(H,38,39)(H,28,31,37)
InChIKeyPEKZMQCTEMVFFV-UHFFFAOYSA-N
XLogP1.64
TPSA164.90 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.62
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434668) is 6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is COCCOCCN(C)c1ccc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1.
What is the InChIKey of 6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is PEKZMQCTEMVFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8O6S/c1-33(5-6-41-8-7-40-2)16-3-4-20(28-10-16)31-24(37)15-11-34(12-15)23-19(27)9-17-21(36)18(25(38)39)13-35(22(17)32-23)26-29-14-30-42-26/h3-4,9-10,13-15H,5-8,11-12H2,1-2H3,(H,38,39)(H,28,31,37).
What are the key properties of 6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 598.62 g/mol, XLogP of 1.64, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).