2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one

C38H40FN7O5 — CID 167374383

About 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one

2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 167374383) has the molecular formula C38H40FN7O5 and a molecular weight of 693.78 g/mol. Its IUPAC name is 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
• PubChem CID: 167374383
• Molecular Formula: C38H40FN7O5
• Molecular Weight: 693.78 g/mol
• Exact Mass: 693.31
• IUPAC Name: 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)C(NCC4CCC(=O)N4)CO5)c3C)c2F)cnc1CN1CC2(CCC(=O)N2)C1
• InChI: InChI=1S/C38H40FN7O5/c1-21-23(6-4-7-24(21)27-14-31-34(37(43-27)50-3)30(18-51-31)40-15-22-10-11-32(47)42-22)25-8-5-9-26(35(25)39)28-16-41-29(36(44-28)49-2)17-46-19-38(20-46)13-12-33(48)45-38/h4-9,14,16,22,30,40H,10-13,15,17-20H2,1-3H3,(H,42,47)(H,45,48)
• InChIKey: YBPSXTPSKLUGKT-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 139.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	693.78
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?

The IUPAC name of 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 167374383) is 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)C(NCC4CCC(=O)N4)CO5)c3C)c2F)cnc1CN1CC2(CCC(=O)N2)C1.

What is the InChIKey of 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?

The InChIKey is YBPSXTPSKLUGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40FN7O5/c1-21-23(6-4-7-24(21)27-14-31-34(37(43-27)50-3)30(18-51-31)40-15-22-10-11-32(47)42-22)25-8-5-9-26(35(25)39)28-16-41-29(36(44-28)49-2)17-46-19-38(20-46)13-12-33(48)45-38/h4-9,14,16,22,30,40H,10-13,15,17-20H2,1-3H3,(H,42,47)(H,45,48).

What are the key properties of 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?

2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 693.78 g/mol, XLogP of 4.10, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[2-fluoro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 167374383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).