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

C23H21N7O4S — CID 142434905

About 7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434905) has the molecular formula C23H21N7O4S and a molecular weight of 491.53 g/mol. Its IUPAC name is 7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142434905
• Molecular Formula: C23H21N7O4S
• Molecular Weight: 491.53 g/mol
• Exact Mass: 491.14
• IUPAC Name: 7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1cc(C)nc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5nccs5)c4n3)C2)n1
• InChI: InChI=1S/C23H21N7O4S/c1-11-6-16(29-8-14(9-29)20(32)28-22-25-12(2)7-13(3)26-22)27-19-17(11)18(31)15(21(33)34)10-30(19)23-24-4-5-35-23/h4-7,10,14H,8-9H2,1-3H3,(H,33,34)(H,25,26,28,32)
• InChIKey: FFLYNCJARZBJHV-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 143.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.53
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434905) is 7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(C)nc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5nccs5)c4n3)C2)n1.

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

The InChIKey is FFLYNCJARZBJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O4S/c1-11-6-16(29-8-14(9-29)20(32)28-22-25-12(2)7-13(3)26-22)27-19-17(11)18(31)15(21(33)34)10-30(19)23-24-4-5-35-23/h4-7,10,14H,8-9H2,1-3H3,(H,33,34)(H,25,26,28,32).

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

7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 491.53 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).