5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one

C38H42Cl2N6O3 — CID 170234666

About 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one

5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one (PubChem CID 170234666) has the molecular formula C38H42Cl2N6O3 and a molecular weight of 701.70 g/mol. Its IUPAC name is 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
• PubChem CID: 170234666
• Molecular Formula: C38H42Cl2N6O3
• Molecular Weight: 701.70 g/mol
• Exact Mass: 700.27
• IUPAC Name: 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cc(C)c(CN5CC6CCCC6C5)c(OC)n4)c3Cl)c2Cl)cnc1CNCC1CCC(=O)N1
• InChI: InChI=1S/C38H42Cl2N6O3/c1-22-15-31(44-37(48-2)30(22)21-46-19-23-7-4-8-24(23)20-46)28-11-5-9-26(35(28)39)27-10-6-12-29(36(27)40)32-18-42-33(38(45-32)49-3)17-41-16-25-13-14-34(47)43-25/h5-6,9-12,15,18,23-25,41H,4,7-8,13-14,16-17,19-21H2,1-3H3,(H,43,47)
• InChIKey: OSGCHNYTZXLCQQ-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 101.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.70
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one?

The IUPAC name of 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one (CID 170234666) is 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one.

What is the SMILES notation for 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one?

The canonical SMILES for 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4cc(C)c(CN5CC6CCCC6C5)c(OC)n4)c3Cl)c2Cl)cnc1CNCC1CCC(=O)N1.

What is the InChIKey of 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one?

The InChIKey is OSGCHNYTZXLCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42Cl2N6O3/c1-22-15-31(44-37(48-2)30(22)21-46-19-23-7-4-8-24(23)20-46)28-11-5-9-26(35(28)39)27-10-6-12-29(36(27)40)32-18-42-33(38(45-32)49-3)17-41-16-25-13-14-34(47)43-25/h5-6,9-12,15,18,23-25,41H,4,7-8,13-14,16-17,19-21H2,1-3H3,(H,43,47).

What are the key properties of 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one?

5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one has a molecular weight of 701.70 g/mol, XLogP of 7.11, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 170234666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).