(5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one

C34H36F3N7O4 — CID 164534770

About (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one

(5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one (PubChem CID 164534770) has the molecular formula C34H36F3N7O4 and a molecular weight of 663.70 g/mol. Its IUPAC name is (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one
• PubChem CID: 164534770
• Molecular Formula: C34H36F3N7O4
• Molecular Weight: 663.70 g/mol
• Exact Mass: 663.28
• IUPAC Name: (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one
• SMILES: CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCC[C@]6(C5)NC(O)NC6=O)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12
• InChI: InChI=1S/C34H36F3N7O4/c1-2-21-24(36)6-5-18-11-20(45)12-22(25(18)21)27-26(37)28-23(14-38-27)29(43-9-4-8-34(16-43)30(46)41-31(47)42-34)40-32(39-28)48-17-33-7-3-10-44(33)15-19(35)13-33/h5-6,11-12,14,19,31,42,45,47H,2-4,7-10,13,15-17H2,1H3,(H,41,46)/t19-,31?,33+,34-/m1/s1
• InChIKey: FMTZVQGUMQVUTQ-VBVLKYKWSA-N
• XLogP: 3.68
• TPSA: 135.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	663.70
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one?

The IUPAC name of (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one (CID 164534770) is (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one.

What is the SMILES notation for (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one?

The canonical SMILES for (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one is CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCC[C@]6(C5)NC(O)NC6=O)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12.

What is the InChIKey of (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one?

The InChIKey is FMTZVQGUMQVUTQ-VBVLKYKWSA-N. The full InChI is InChI=1S/C34H36F3N7O4/c1-2-21-24(36)6-5-18-11-20(45)12-22(25(18)21)27-26(37)28-23(14-38-27)29(43-9-4-8-34(16-43)30(46)41-31(47)42-34)40-32(39-28)48-17-33-7-3-10-44(33)15-19(35)13-33/h5-6,11-12,14,19,31,42,45,47H,2-4,7-10,13,15-17H2,1H3,(H,41,46)/t19-,31?,33+,34-/m1/s1.

What are the key properties of (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one?

(5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one has a molecular weight of 663.70 g/mol, XLogP of 3.68, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-9-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-hydroxy-1,3,9-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 164534770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).