3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole

C20H17N7O — CID 24917361

About 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole

3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole (PubChem CID 24917361) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
• PubChem CID: 24917361
• Molecular Formula: C20H17N7O
• Molecular Weight: 371.40 g/mol
• Exact Mass: 371.15
• IUPAC Name: 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
• SMILES: c1ccc(-c2noc(CN3CCc4nc(-c5cncnc5)ncc4C3)n2)cc1
• InChI: InChI=1S/C20H17N7O/c1-2-4-14(5-3-1)20-25-18(28-26-20)12-27-7-6-17-16(11-27)10-23-19(24-17)15-8-21-13-22-9-15/h1-5,8-10,13H,6-7,11-12H2
• InChIKey: ZCFVGMIJJXOJKU-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 93.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.40
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?

The IUPAC name of 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole (CID 24917361) is 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?

The canonical SMILES for 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole is c1ccc(-c2noc(CN3CCc4nc(-c5cncnc5)ncc4C3)n2)cc1.

What is the InChIKey of 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?

The InChIKey is ZCFVGMIJJXOJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-2-4-14(5-3-1)20-25-18(28-26-20)12-27-7-6-17-16(11-27)10-23-19(24-17)15-8-21-13-22-9-15/h1-5,8-10,13H,6-7,11-12H2.

What are the key properties of 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?

3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 371.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 24917361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).