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

C37H37ClFN7O5 — CID 167374232

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

2-[[5-[3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]-2-fluorophenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 167374232) has the molecular formula C37H37ClFN7O5 and a molecular weight of 714.20 g/mol. Its IUPAC name is 2-[[5-[3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]-2-fluorophenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 2-[[5-[3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]-2-fluorophenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
• PubChem CID: 167374232
• Molecular Formula: C37H37ClFN7O5
• Molecular Weight: 714.20 g/mol
• Exact Mass: 713.25
• IUPAC Name: 2-[[5-[3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]-2-fluorophenyl]-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)c3Cl)c2F)cnc1CN1CC2(CCC(=O)N2)C1
• InChI: InChI=1S/C37H37ClFN7O5/c1-49-35-27(16-46-18-37(19-46)12-11-31(48)45-37)41-15-26(44-35)24-8-4-6-22(34(24)39)21-5-3-7-23(33(21)38)25-13-29-32(36(43-25)50-2)28(17-51-29)40-14-20-9-10-30(47)42-20/h3-8,13,15,20,28,40H,9-12,14,16-19H2,1-2H3,(H,42,47)(H,45,48)
• InChIKey: FLJDJUGCZPRKAR-UHFFFAOYSA-N
• XLogP: 4.45
• 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	714.20
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[[5-[3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]-2-fluorophenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 167374232) is 2-[[5-[3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]-2-fluorophenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

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

The canonical SMILES for 2-[[5-[3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]-2-fluorophenyl]-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)c3Cl)c2F)cnc1CN1CC2(CCC(=O)N2)C1.

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

The InChIKey is FLJDJUGCZPRKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37ClFN7O5/c1-49-35-27(16-46-18-37(19-46)12-11-31(48)45-37)41-15-26(44-35)24-8-4-6-22(34(24)39)21-5-3-7-23(33(21)38)25-13-29-32(36(43-25)50-2)28(17-51-29)40-14-20-9-10-30(47)42-20/h3-8,13,15,20,28,40H,9-12,14,16-19H2,1-2H3,(H,42,47)(H,45,48).

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

2-[[5-[3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]-2-fluorophenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 714.20 g/mol, XLogP of 4.45, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]-2-fluorophenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 167374232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).