4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

C32H34FN5O — CID 167532942

About 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 167532942) has the molecular formula C32H34FN5O and a molecular weight of 523.66 g/mol. Its IUPAC name is 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 167532942
• Molecular Formula: C32H34FN5O
• Molecular Weight: 523.66 g/mol
• Exact Mass: 523.27
• IUPAC Name: 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: Oc1cc(-c2ncc3c(N4CC5CCC(C5)C4)nc(N4CC5(CCCCC5)C4)nc3c2F)c2ccccc2c1
• InChI: InChI=1S/C32H34FN5O/c33-27-28(25-14-23(39)13-22-6-2-3-7-24(22)25)34-15-26-29(27)35-31(38-18-32(19-38)10-4-1-5-11-32)36-30(26)37-16-20-8-9-21(12-20)17-37/h2-3,6-7,13-15,20-21,39H,1,4-5,8-12,16-19H2
• InChIKey: FJBDEXMXSKUBFK-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.66
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (CID 167532942) is 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is Oc1cc(-c2ncc3c(N4CC5CCC(C5)C4)nc(N4CC5(CCCCC5)C4)nc3c2F)c2ccccc2c1.

What is the InChIKey of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

The InChIKey is FJBDEXMXSKUBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O/c33-27-28(25-14-23(39)13-22-6-2-3-7-24(22)25)34-15-26-29(27)35-31(38-18-32(19-38)10-4-1-5-11-32)36-30(26)37-16-20-8-9-21(12-20)17-37/h2-3,6-7,13-15,20-21,39H,1,4-5,8-12,16-19H2.

What are the key properties of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 523.66 g/mol, XLogP of 6.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 167532942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).