8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane

C32H32ClF2N5O2 — CID 175636120

About 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane

8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane (PubChem CID 175636120) has the molecular formula C32H32ClF2N5O2 and a molecular weight of 592.09 g/mol. Its IUPAC name is 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane
• PubChem CID: 175636120
• Molecular Formula: C32H32ClF2N5O2
• Molecular Weight: 592.09 g/mol
• Exact Mass: 591.22
• IUPAC Name: 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane
• SMILES: Fc1c(-c2cc(Cl)cc3ccccc23)ncc2c(N3CCCC4(CCO4)C3)nc(OC[C@@]34CCCN3CC(F)C4)nc12
• InChI: InChI=1S/C32H32ClF2N5O2/c33-21-13-20-5-1-2-6-23(20)24(14-21)27-26(35)28-25(16-36-27)29(39-10-4-8-32(18-39)9-12-42-32)38-30(37-28)41-19-31-7-3-11-40(31)17-22(34)15-31/h1-2,5-6,13-14,16,22H,3-4,7-12,15,17-19H2/t22?,31-,32?/m0/s1
• InChIKey: ZIZYBXDSNHTVNX-VRWSNVLASA-N
• XLogP: 6.35
• TPSA: 63.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.09
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane?

The IUPAC name of 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane (CID 175636120) is 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane.

What is the SMILES notation for 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane?

The canonical SMILES for 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane is Fc1c(-c2cc(Cl)cc3ccccc23)ncc2c(N3CCCC4(CCO4)C3)nc(OC[C@@]34CCCN3CC(F)C4)nc12.

What is the InChIKey of 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane?

The InChIKey is ZIZYBXDSNHTVNX-VRWSNVLASA-N. The full InChI is InChI=1S/C32H32ClF2N5O2/c33-21-13-20-5-1-2-6-23(20)24(14-21)27-26(35)28-25(16-36-27)29(39-10-4-8-32(18-39)9-12-42-32)38-30(37-28)41-19-31-7-3-11-40(31)17-22(34)15-31/h1-2,5-6,13-14,16,22H,3-4,7-12,15,17-19H2/t22?,31-,32?/m0/s1.

What are the key properties of 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane?

8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane has a molecular weight of 592.09 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 175636120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).