2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

C20H17N7O3S — CID 146591673

About 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 146591673) has the molecular formula C20H17N7O3S and a molecular weight of 435.47 g/mol. Its IUPAC name is 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

• Compound Name: 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
• PubChem CID: 146591673
• Molecular Formula: C20H17N7O3S
• Molecular Weight: 435.47 g/mol
• Exact Mass: 435.11
• IUPAC Name: 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
• SMILES: CS(=O)(=O)N1CC(CC#N)(n2ccc(-c3nc(-c4cnco4)cc4ncccc34)n2)C1
• InChI: InChI=1S/C20H17N7O3S/c1-31(28,29)26-11-20(12-26,5-6-21)27-8-4-15(25-27)19-14-3-2-7-23-16(14)9-17(24-19)18-10-22-13-30-18/h2-4,7-10,13H,5,11-12H2,1H3
• InChIKey: RCMUQMOZZOFKCM-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 130.80 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.47
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?

The IUPAC name of 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (CID 146591673) is 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.

What is the SMILES notation for 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?

The canonical SMILES for 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is CS(=O)(=O)N1CC(CC#N)(n2ccc(-c3nc(-c4cnco4)cc4ncccc34)n2)C1.

What is the InChIKey of 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?

The InChIKey is RCMUQMOZZOFKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3S/c1-31(28,29)26-11-20(12-26,5-6-21)27-8-4-15(25-27)19-14-3-2-7-23-16(14)9-17(24-19)18-10-22-13-30-18/h2-4,7-10,13H,5,11-12H2,1H3.

What are the key properties of 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?

2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 435.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 146591673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).