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

C20H18N6O4S — CID 142435626

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

7-[3-[4-(hydroxymethyl)pyrazol-1-yl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435626) has the molecular formula C20H18N6O4S and a molecular weight of 438.47 g/mol. Its IUPAC name is 7-[3-[4-(hydroxymethyl)pyrazol-1-yl]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-(hydroxymethyl)pyrazol-1-yl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435626
• Molecular Formula: C20H18N6O4S
• Molecular Weight: 438.47 g/mol
• Exact Mass: 438.11
• IUPAC Name: 7-[3-[4-(hydroxymethyl)pyrazol-1-yl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1cc(N2CC(n3cc(CO)cn3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
• InChI: InChI=1S/C20H18N6O4S/c1-11-4-15(24-7-13(8-24)26-6-12(10-27)5-22-26)23-18-16(11)17(28)14(19(29)30)9-25(18)20-21-2-3-31-20/h2-6,9,13,27H,7-8,10H2,1H3,(H,29,30)
• InChIKey: MGTCNOZRVLOEJF-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 126.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.47
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(hydroxymethyl)pyrazol-1-yl]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-(hydroxymethyl)pyrazol-1-yl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435626) is 7-[3-[4-(hydroxymethyl)pyrazol-1-yl]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-(hydroxymethyl)pyrazol-1-yl]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-(hydroxymethyl)pyrazol-1-yl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(n3cc(CO)cn3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1.

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

The InChIKey is MGTCNOZRVLOEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4S/c1-11-4-15(24-7-13(8-24)26-6-12(10-27)5-22-26)23-18-16(11)17(28)14(19(29)30)9-25(18)20-21-2-3-31-20/h2-6,9,13,27H,7-8,10H2,1H3,(H,29,30).

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

7-[3-[4-(hydroxymethyl)pyrazol-1-yl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 438.47 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[4-(hydroxymethyl)pyrazol-1-yl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).