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

C14H17N5O2 — CID 86773174

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

3-cyclopropyl-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole (PubChem CID 86773174) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-cyclopropyl-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
• PubChem CID: 86773174
• Molecular Formula: C14H17N5O2
• Molecular Weight: 287.32 g/mol
• Exact Mass: 287.14
• IUPAC Name: 3-cyclopropyl-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
• SMILES: COc1ncnc2c1CN(Cc1nc(C3CC3)no1)CC2
• InChI: InChI=1S/C14H17N5O2/c1-20-14-10-6-19(5-4-11(10)15-8-16-14)7-12-17-13(18-21-12)9-2-3-9/h8-9H,2-7H2,1H3
• InChIKey: RSTRFOJNMLDXRV-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 77.17 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.32
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-cyclopropyl-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole (CID 86773174) is 3-cyclopropyl-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole.

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

The canonical SMILES for 3-cyclopropyl-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole is COc1ncnc2c1CN(Cc1nc(C3CC3)no1)CC2.

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

The InChIKey is RSTRFOJNMLDXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-20-14-10-6-19(5-4-11(10)15-8-16-14)7-12-17-13(18-21-12)9-2-3-9/h8-9H,2-7H2,1H3.

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

3-cyclopropyl-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 287.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86773174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).