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

C21H16FN7O4S — CID 142434619

IUPAC6-fluoro-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cccc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)n1
InChIInChI=1S/C21H16FN7O4S/c1-10-3-2-4-15(25-10)26-19(31)11-6-28(7-11)18-14(22)5-12-16(30)13(20(32)33)8-29(17(12)27-18)21-23-9-24-34-21/h2-5,8-9,11H,6-7H2,1H3,(H,32,33)(H,25,26,31)
InChIKeyBJKMMDVOHXPHLF-UHFFFAOYSA-N
MW481.47 g/mol
LogP1.85
Rot. Bonds5

About 6-fluoro-7-[3-[(6-methyl-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-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434619) has the molecular formula C21H16FN7O4S and a molecular weight of 481.47 g/mol. Its IUPAC name is 6-fluoro-7-[3-[(6-methyl-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-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434619
Molecular FormulaC21H16FN7O4S
Molecular Weight481.47 g/mol
Exact Mass481.10
IUPAC Name6-fluoro-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cccc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)n1
InChIInChI=1S/C21H16FN7O4S/c1-10-3-2-4-15(25-10)26-19(31)11-6-28(7-11)18-14(22)5-12-16(30)13(20(32)33)8-29(17(12)27-18)21-23-9-24-34-21/h2-5,8-9,11H,6-7H2,1H3,(H,32,33)(H,25,26,31)
InChIKeyBJKMMDVOHXPHLF-UHFFFAOYSA-N
XLogP1.85
TPSA143.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 51.85
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-[(6-methyl-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-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434619) is 6-fluoro-7-[3-[(6-methyl-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-[(6-methyl-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-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cccc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)n1.
What is the InChIKey of 6-fluoro-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is BJKMMDVOHXPHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7O4S/c1-10-3-2-4-15(25-10)26-19(31)11-6-28(7-11)18-14(22)5-12-16(30)13(20(32)33)8-29(17(12)27-18)21-23-9-24-34-21/h2-5,8-9,11H,6-7H2,1H3,(H,32,33)(H,25,26,31).
What are the key properties of 6-fluoro-7-[3-[(6-methyl-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-[(6-methyl-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 481.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[3-[(6-methyl-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 142434619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).