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

C70H72F6N12O5 — CID 167120432

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

7-[2-[[(2R,8S)-5-[4-ethyl-3-fluoro-5-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(3-oxo-2,7-diazaspiro[4.5]decan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]-7-hydroxynaphthalen-1-yl]-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-ethyl-7-fluoronaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-3-one (PubChem CID 167120432) has the molecular formula C70H72F6N12O5 and a molecular weight of 1275.41 g/mol. Its IUPAC name is 7-[2-[[(2R,8S)-5-[4-ethyl-3-fluoro-5-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(3-oxo-2,7-diazaspiro[4.5]decan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]-7-hydroxynaphthalen-1-yl]-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-ethyl-7-fluoronaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 7-[2-[[(2R,8S)-5-[4-ethyl-3-fluoro-5-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(3-oxo-2,7-diazaspiro[4.5]decan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]-7-hydroxynaphthalen-1-yl]-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-ethyl-7-fluoronaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-3-one
• PubChem CID: 167120432
• Molecular Formula: C70H72F6N12O5
• Molecular Weight: 1275.41 g/mol
• Exact Mass: 1274.57
• IUPAC Name: 7-[2-[[(2R,8S)-5-[4-ethyl-3-fluoro-5-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(3-oxo-2,7-diazaspiro[4.5]decan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]-7-hydroxynaphthalen-1-yl]-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-ethyl-7-fluoronaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-3-one
• SMILES: CCc1c(F)ccc2cccc(-c3ncc4c(N5CCCC6(CNC(=O)C6)C5)nc(OC[C@@]56CCC(c7cc(F)c(CC)c8c(-c9ncc%10c(N%11CCCC%12(CNC(=O)C%12)C%11)nc(OC[C@@]%11%12CCCN%11C[C@H](F)C%12)nc%10c9F)cc(O)cc78)N5C[C@H](F)C6)nc4c3F)c12
• InChI: InChI=1S/C70H72F6N12O5/c1-3-42-50(73)12-11-38-9-5-10-44(55(38)42)59-57(75)61-48(28-77-59)63(85-18-6-14-67(34-85)26-53(90)79-32-67)84-66(81-61)93-37-70-17-13-52(88(70)31-40(72)25-70)45-23-51(74)43(4-2)56-46(45)21-41(89)22-47(56)60-58(76)62-49(29-78-60)64(86-19-7-15-68(35-86)27-54(91)80-33-68)83-65(82-62)92-36-69-16-8-20-87(69)30-39(71)24-69/h5,9-12,21-23,28-29,39-40,52,89H,3-4,6-8,13-20,24-27,30-37H2,1-2H3,(H,79,90)(H,80,91)/t39-,40-,52?,67?,68?,69+,70+/m1/s1
• InChIKey: UONOQYNBBBZWEK-ZHRQQKRXSA-N
• XLogP: 11.25
• TPSA: 187.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1275.41
LogP ≤ 5	11.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 7-[2-[[(2R,8S)-5-[4-ethyl-3-fluoro-5-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(3-oxo-2,7-diazaspiro[4.5]decan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]-7-hydroxynaphthalen-1-yl]-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-ethyl-7-fluoronaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-3-one (CID 167120432) is 7-[2-[[(2R,8S)-5-[4-ethyl-3-fluoro-5-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(3-oxo-2,7-diazaspiro[4.5]decan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]-7-hydroxynaphthalen-1-yl]-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-ethyl-7-fluoronaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-3-one.

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

The canonical SMILES for 7-[2-[[(2R,8S)-5-[4-ethyl-3-fluoro-5-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(3-oxo-2,7-diazaspiro[4.5]decan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]-7-hydroxynaphthalen-1-yl]-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-ethyl-7-fluoronaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-3-one is CCc1c(F)ccc2cccc(-c3ncc4c(N5CCCC6(CNC(=O)C6)C5)nc(OC[C@@]56CCC(c7cc(F)c(CC)c8c(-c9ncc%10c(N%11CCCC%12(CNC(=O)C%12)C%11)nc(OC[C@@]%11%12CCCN%11C[C@H](F)C%12)nc%10c9F)cc(O)cc78)N5C[C@H](F)C6)nc4c3F)c12.

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

The InChIKey is UONOQYNBBBZWEK-ZHRQQKRXSA-N. The full InChI is InChI=1S/C70H72F6N12O5/c1-3-42-50(73)12-11-38-9-5-10-44(55(38)42)59-57(75)61-48(28-77-59)63(85-18-6-14-67(34-85)26-53(90)79-32-67)84-66(81-61)93-37-70-17-13-52(88(70)31-40(72)25-70)45-23-51(74)43(4-2)56-46(45)21-41(89)22-47(56)60-58(76)62-49(29-78-60)64(86-19-7-15-68(35-86)27-54(91)80-33-68)83-65(82-62)92-36-69-16-8-20-87(69)30-39(71)24-69/h5,9-12,21-23,28-29,39-40,52,89H,3-4,6-8,13-20,24-27,30-37H2,1-2H3,(H,79,90)(H,80,91)/t39-,40-,52?,67?,68?,69+,70+/m1/s1.

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

7-[2-[[(2R,8S)-5-[4-ethyl-3-fluoro-5-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(3-oxo-2,7-diazaspiro[4.5]decan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]-7-hydroxynaphthalen-1-yl]-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-ethyl-7-fluoronaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-3-one has a molecular weight of 1275.41 g/mol, XLogP of 11.25, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[[(2R,8S)-5-[4-ethyl-3-fluoro-5-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(3-oxo-2,7-diazaspiro[4.5]decan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]-7-hydroxynaphthalen-1-yl]-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-ethyl-7-fluoronaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 167120432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).