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

C21H15F2N7O4S — CID 142435186

IUPAC6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(N3CC(C(=O)NCc4ncccc4F)C3)c(F)cc2c1=O
InChIInChI=1S/C21H15F2N7O4S/c22-13-2-1-3-24-15(13)5-25-19(32)10-6-29(7-10)18-14(23)4-11-16(31)12(20(33)34)8-30(17(11)28-18)21-26-9-27-35-21/h1-4,8-10H,5-7H2,(H,25,32)(H,33,34)
InChIKeyPXFZXGLIFPWUTQ-UHFFFAOYSA-N
MW499.46 g/mol
LogP1.36
Rot. Bonds6

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

6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435186) has the molecular formula C21H15F2N7O4S and a molecular weight of 499.46 g/mol. Its IUPAC name is 6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]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-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142435186
Molecular FormulaC21H15F2N7O4S
Molecular Weight499.46 g/mol
Exact Mass499.09
IUPAC Name6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(N3CC(C(=O)NCc4ncccc4F)C3)c(F)cc2c1=O
InChIInChI=1S/C21H15F2N7O4S/c22-13-2-1-3-24-15(13)5-25-19(32)10-6-29(7-10)18-14(23)4-11-16(31)12(20(33)34)8-30(17(11)28-18)21-26-9-27-35-21/h1-4,8-10H,5-7H2,(H,25,32)(H,33,34)
InChIKeyPXFZXGLIFPWUTQ-UHFFFAOYSA-N
XLogP1.36
TPSA143.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]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-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435186) is 6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]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-[(3-fluoro-2-pyridinyl)methylcarbamoyl]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-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ncns2)c2nc(N3CC(C(=O)NCc4ncccc4F)C3)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is PXFZXGLIFPWUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N7O4S/c22-13-2-1-3-24-15(13)5-25-19(32)10-6-29(7-10)18-14(23)4-11-16(31)12(20(33)34)8-30(17(11)28-18)21-26-9-27-35-21/h1-4,8-10H,5-7H2,(H,25,32)(H,33,34).
What are the key properties of 6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 499.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).