8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one

C14H14F2N4O2 — CID 176950873

About 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one

8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 176950873) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one
• PubChem CID: 176950873
• Molecular Formula: C14H14F2N4O2
• Molecular Weight: 308.29 g/mol
• Exact Mass: 308.11
• IUPAC Name: 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one
• SMILES: Cc1ncc2c(N3CCCOC4C(F)C43)nc(=O)[nH]c2c1F
• InChI: InChI=1S/C14H14F2N4O2/c1-6-8(15)10-7(5-17-6)13(19-14(21)18-10)20-3-2-4-22-12-9(16)11(12)20/h5,9,11-12H,2-4H2,1H3,(H,18,19,21)
• InChIKey: BYMZMWAECAABGL-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.29
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one?

The IUPAC name of 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one (CID 176950873) is 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one.

What is the SMILES notation for 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one?

The canonical SMILES for 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one is Cc1ncc2c(N3CCCOC4C(F)C43)nc(=O)[nH]c2c1F.

What is the InChIKey of 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one?

The InChIKey is BYMZMWAECAABGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c1-6-8(15)10-7(5-17-6)13(19-14(21)18-10)20-3-2-4-22-12-9(16)11(12)20/h5,9,11-12H,2-4H2,1H3,(H,18,19,21).

What are the key properties of 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one?

8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 308.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 176950873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).