N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide

C41H49ClN6O2 — CID 143870003

About N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide

N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide (PubChem CID 143870003) has the molecular formula C41H49ClN6O2 and a molecular weight of 693.34 g/mol. Its IUPAC name is N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide
• PubChem CID: 143870003
• Molecular Formula: C41H49ClN6O2
• Molecular Weight: 693.34 g/mol
• Exact Mass: 692.36
• IUPAC Name: N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide
• SMILES: Cc1ccc2c(c1)c1c(n2CC(=O)NC2CCC(CN3C4CCC3c3c(n(C5CC(=O)N(C)C5)c5ccc(Cl)cc35)C4)C2)CC2CCC1N2C
• InChI: InChI=1S/C41H49ClN6O2/c1-23-4-10-32-30(14-23)40-34-12-8-27(45(34)3)17-36(40)47(32)22-38(49)43-26-7-5-24(15-26)20-46-28-9-13-35(46)41-31-16-25(42)6-11-33(31)48(37(41)18-28)29-19-39(50)44(2)21-29/h4,6,10-11,14,16,24,26-29,34-35H,5,7-9,12-13,15,17-22H2,1-3H3,(H,43,49)
• InChIKey: OIYVJALYKKRPRY-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 65.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.34
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide?

The IUPAC name of N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide (CID 143870003) is N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide.

What is the SMILES notation for N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide?

The canonical SMILES for N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide is Cc1ccc2c(c1)c1c(n2CC(=O)NC2CCC(CN3C4CCC3c3c(n(C5CC(=O)N(C)C5)c5ccc(Cl)cc35)C4)C2)CC2CCC1N2C.

What is the InChIKey of N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide?

The InChIKey is OIYVJALYKKRPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49ClN6O2/c1-23-4-10-32-30(14-23)40-34-12-8-27(45(34)3)17-36(40)47(32)22-38(49)43-26-7-5-24(15-26)20-46-28-9-13-35(46)41-31-16-25(42)6-11-33(31)48(37(41)18-28)29-19-39(50)44(2)21-29/h4,6,10-11,14,16,24,26-29,34-35H,5,7-9,12-13,15,17-22H2,1-3H3,(H,43,49).

What are the key properties of N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide?

N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide has a molecular weight of 693.34 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-chloro-9-(1-methyl-5-oxopyrrolidin-3-yl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]methyl]cyclopentyl]-2-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide is sourced from PubChem (CID 143870003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).