5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one

C38H41Cl2N7O4 — CID 167374381

About 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one

5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 167374381) has the molecular formula C38H41Cl2N7O4 and a molecular weight of 730.70 g/mol. Its IUPAC name is 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one
• PubChem CID: 167374381
• Molecular Formula: C38H41Cl2N7O4
• Molecular Weight: 730.70 g/mol
• Exact Mass: 729.26
• IUPAC Name: 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)C(NCC4CCC(=O)N4)CC5)c3Cl)c2Cl)cnc1CN1CCN(C(C)=O)CC1
• InChI: InChI=1S/C38H41Cl2N7O4/c1-22(48)47-16-14-46(15-17-47)21-32-37(50-2)45-31(20-42-32)28-9-5-7-26(36(28)40)25-6-4-8-27(35(25)39)30-18-23-10-12-29(34(23)38(44-30)51-3)41-19-24-11-13-33(49)43-24/h4-9,18,20,24,29,41H,10-17,19,21H2,1-3H3,(H,43,49)
• InChIKey: JTSSVRCFDACPAT-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 121.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.70
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one?

The IUPAC name of 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one (CID 167374381) is 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one.

What is the SMILES notation for 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one?

The canonical SMILES for 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)C(NCC4CCC(=O)N4)CC5)c3Cl)c2Cl)cnc1CN1CCN(C(C)=O)CC1.

What is the InChIKey of 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one?

The InChIKey is JTSSVRCFDACPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41Cl2N7O4/c1-22(48)47-16-14-46(15-17-47)21-32-37(50-2)45-31(20-42-32)28-9-5-7-26(36(28)40)25-6-4-8-27(35(25)39)30-18-23-10-12-29(34(23)38(44-30)51-3)41-19-24-11-13-33(49)43-24/h4-9,18,20,24,29,41H,10-17,19,21H2,1-3H3,(H,43,49).

What are the key properties of 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one?

5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 730.70 g/mol, XLogP of 5.72, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[3-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 167374381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).