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

C27H24FN9O4S — CID 142434839

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

6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434839) has the molecular formula C27H24FN9O4S and a molecular weight of 589.61 g/mol. Its IUPAC name is 6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142434839
• Molecular Formula: C27H24FN9O4S
• Molecular Weight: 589.61 g/mol
• Exact Mass: 589.17
• IUPAC Name: 6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: CCCn1nc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nc(-c4cccnc4)ns3)C2)cc1C
• InChI: InChI=1S/C27H24FN9O4S/c1-3-7-37-14(2)8-20(33-37)30-25(39)16-11-35(12-16)24-19(28)9-17-21(38)18(26(40)41)13-36(23(17)32-24)27-31-22(34-42-27)15-5-4-6-29-10-15/h4-6,8-10,13,16H,3,7,11-12H2,1-2H3,(H,40,41)(H,30,33,39)
• InChIKey: JKXAXZTVBIRVLY-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 161.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.61
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434839) is 6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is CCCn1nc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nc(-c4cccnc4)ns3)C2)cc1C.

What is the InChIKey of 6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is JKXAXZTVBIRVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN9O4S/c1-3-7-37-14(2)8-20(33-37)30-25(39)16-11-35(12-16)24-19(28)9-17-21(38)18(26(40)41)13-36(23(17)32-24)27-31-22(34-42-27)15-5-4-6-29-10-15/h4-6,8-10,13,16H,3,7,11-12H2,1-2H3,(H,40,41)(H,30,33,39).

What are the key properties of 6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 589.61 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).