(5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one

C36H34Cl2N6O4 — CID 166516470

About (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one

(5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 166516470) has the molecular formula C36H34Cl2N6O4 and a molecular weight of 685.61 g/mol. Its IUPAC name is (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one
• PubChem CID: 166516470
• Molecular Formula: C36H34Cl2N6O4
• Molecular Weight: 685.61 g/mol
• Exact Mass: 684.20
• IUPAC Name: (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one
• SMILES: O=C1CC[C@H](CN[C@@H]2COc3nc(-c4cccc(-c5cccc(-c6ccc7c(n6)OC[C@H]7NC[C@@H]6CCC(=O)N6)c5Cl)c4Cl)ccc32)N1
• InChI: InChI=1S/C36H34Cl2N6O4/c37-33-21(3-1-5-23(33)27-11-9-25-29(17-47-35(25)43-27)39-15-19-7-13-31(45)41-19)22-4-2-6-24(34(22)38)28-12-10-26-30(18-48-36(26)44-28)40-16-20-8-14-32(46)42-20/h1-6,9-12,19-20,29-30,39-40H,7-8,13-18H2,(H,41,45)(H,42,46)/t19-,20+,29-,30-/m1/s1
• InChIKey: DYWKZRDTMJOGEP-GBJTXXJHSA-N
• XLogP: 5.39
• TPSA: 126.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.61
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one?

The IUPAC name of (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one (CID 166516470) is (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one.

What is the SMILES notation for (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one?

The canonical SMILES for (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one is O=C1CC[C@H](CN[C@@H]2COc3nc(-c4cccc(-c5cccc(-c6ccc7c(n6)OC[C@H]7NC[C@@H]6CCC(=O)N6)c5Cl)c4Cl)ccc32)N1.

What is the InChIKey of (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one?

The InChIKey is DYWKZRDTMJOGEP-GBJTXXJHSA-N. The full InChI is InChI=1S/C36H34Cl2N6O4/c37-33-21(3-1-5-23(33)27-11-9-25-29(17-47-35(25)43-27)39-15-19-7-13-31(45)41-19)22-4-2-6-24(34(22)38)28-12-10-26-30(18-48-36(26)44-28)40-16-20-8-14-32(46)42-20/h1-6,9-12,19-20,29-30,39-40H,7-8,13-18H2,(H,41,45)(H,42,46)/t19-,20+,29-,30-/m1/s1.

What are the key properties of (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one?

(5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 685.61 g/mol, XLogP of 5.39, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[[(3S)-6-[2-chloro-3-[2-chloro-3-[(3S)-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[2,3-b]pyridin-6-yl]phenyl]phenyl]-2,3-dihydrofuro[2,3-b]pyridin-3-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166516470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).