(5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one

C37H36Cl3N7O3 — CID 166515940

About (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one

(5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one (PubChem CID 166515940) has the molecular formula C37H36Cl3N7O3 and a molecular weight of 733.10 g/mol. Its IUPAC name is (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
• PubChem CID: 166515940
• Molecular Formula: C37H36Cl3N7O3
• Molecular Weight: 733.10 g/mol
• Exact Mass: 731.19
• IUPAC Name: (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccn5c(Cl)c(CNC[C@H]6CCC(=O)N6)nc5c4)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1
• InChI: InChI=1S/C37H36Cl3N7O3/c1-50-37-22(17-41-18-23-9-12-32(48)43-23)8-11-29(46-37)28-7-3-6-27(35(28)39)26-5-2-4-25(34(26)38)21-14-15-47-31(16-21)45-30(36(47)40)20-42-19-24-10-13-33(49)44-24/h2-8,11,14-16,23-24,41-42H,9-10,12-13,17-20H2,1H3,(H,43,48)(H,44,49)/t23-,24-/m1/s1
• InChIKey: VZGQFOCFVZLVJO-DNQXCXABSA-N
• XLogP: 6.44
• TPSA: 121.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.10
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The IUPAC name of (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one (CID 166515940) is (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one.

What is the SMILES notation for (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The canonical SMILES for (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4ccn5c(Cl)c(CNC[C@H]6CCC(=O)N6)nc5c4)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1.

What is the InChIKey of (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The InChIKey is VZGQFOCFVZLVJO-DNQXCXABSA-N. The full InChI is InChI=1S/C37H36Cl3N7O3/c1-50-37-22(17-41-18-23-9-12-32(48)43-23)8-11-29(46-37)28-7-3-6-27(35(28)39)26-5-2-4-25(34(26)38)21-14-15-47-31(16-21)45-30(36(47)40)20-42-19-24-10-13-33(49)44-24/h2-8,11,14-16,23-24,41-42H,9-10,12-13,17-20H2,1H3,(H,43,48)(H,44,49)/t23-,24-/m1/s1.

What are the key properties of (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

(5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one has a molecular weight of 733.10 g/mol, XLogP of 6.44, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166515940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).