3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione

C32H39N5O3 — CID 167187649

About 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione

3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 167187649) has the molecular formula C32H39N5O3 and a molecular weight of 541.70 g/mol. Its IUPAC name is 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione
• PubChem CID: 167187649
• Molecular Formula: C32H39N5O3
• Molecular Weight: 541.70 g/mol
• Exact Mass: 541.31
• IUPAC Name: 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione
• SMILES: CC1(CN2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1
• InChI: InChI=1S/C32H39N5O3/c1-31(11-4-12-31)20-35-15-13-32(2,14-16-35)36-19-21(18-33-36)17-22-7-8-25-28-23(22)5-3-6-24(28)30(40)37(25)26-9-10-27(38)34-29(26)39/h3,5-8,18-19,26,30,40H,4,9-17,20H2,1-2H3,(H,34,38,39)
• InChIKey: SSDKDSIXZNIVPN-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 90.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.70
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione (CID 167187649) is 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione is CC1(CN2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.

What is the InChIKey of 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione?

The InChIKey is SSDKDSIXZNIVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O3/c1-31(11-4-12-31)20-35-15-13-32(2,14-16-35)36-19-21(18-33-36)17-22-7-8-25-28-23(22)5-3-6-24(28)30(40)37(25)26-9-10-27(38)34-29(26)39/h3,5-8,18-19,26,30,40H,4,9-17,20H2,1-2H3,(H,34,38,39).

What are the key properties of 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione?

3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 541.70 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-hydroxy-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2H-benzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 167187649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).