4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

C31H33FN6O3 — CID 176801187

About 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 176801187) has the molecular formula C31H33FN6O3 and a molecular weight of 556.64 g/mol. Its IUPAC name is 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 176801187
• Molecular Formula: C31H33FN6O3
• Molecular Weight: 556.64 g/mol
• Exact Mass: 556.26
• IUPAC Name: 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: Oc1cc(-c2ncc3c(N4CCC5(CC4)CNO5)nc(OCC45CCCN4CCC5)nc3c2F)c2ccccc2c1
• InChI: InChI=1S/C31H33FN6O3/c32-25-26(23-16-21(39)15-20-5-1-2-6-22(20)23)33-17-24-27(25)35-29(40-19-30-7-3-11-38(30)12-4-8-30)36-28(24)37-13-9-31(10-14-37)18-34-41-31/h1-2,5-6,15-17,34,39H,3-4,7-14,18-19H2
• InChIKey: QAVVOWCFVHCTIK-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 95.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.64
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (CID 176801187) is 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is Oc1cc(-c2ncc3c(N4CCC5(CC4)CNO5)nc(OCC45CCCN4CCC5)nc3c2F)c2ccccc2c1.

What is the InChIKey of 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

The InChIKey is QAVVOWCFVHCTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN6O3/c32-25-26(23-16-21(39)15-20-5-1-2-6-22(20)23)33-17-24-27(25)35-29(40-19-30-7-3-11-38(30)12-4-8-30)36-28(24)37-13-9-31(10-14-37)18-34-41-31/h1-2,5-6,15-17,34,39H,3-4,7-14,18-19H2.

What are the key properties of 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 556.64 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1-oxa-2,7-diazaspiro[3.5]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 176801187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).