3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

C30H34N4O4 — CID 155195024

IUPAC3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESCC(C)(C)OC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C30H34N4O4/c1-30(2,3)38-21-10-8-20(9-11-21)33-17-18(16-31-33)15-19-7-12-24-27-22(19)5-4-6-23(27)29(37)34(24)25-13-14-26(35)32-28(25)36/h4-7,12,16-17,20-21,25H,8-11,13-15H2,1-3H3,(H,32,35,36)
InChIKeyWRYPHYLFHZFWBA-UHFFFAOYSA-N
MW514.63 g/mol
LogP4.69
Rot. Bonds5

About 3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 155195024) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
PubChem CID155195024
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC Name3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESCC(C)(C)OC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C30H34N4O4/c1-30(2,3)38-21-10-8-20(9-11-21)33-17-18(16-31-33)15-19-7-12-24-27-22(19)5-4-6-23(27)29(37)34(24)25-13-14-26(35)32-28(25)36/h4-7,12,16-17,20-21,25H,8-11,13-15H2,1-3H3,(H,32,35,36)
InChIKeyWRYPHYLFHZFWBA-UHFFFAOYSA-N
XLogP4.69
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (CID 155195024) is 3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is CC(C)(C)OC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.
What is the InChIKey of 3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The InChIKey is WRYPHYLFHZFWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-30(2,3)38-21-10-8-20(9-11-21)33-17-18(16-31-33)15-19-7-12-24-27-22(19)5-4-6-23(27)29(37)34(24)25-13-14-26(35)32-28(25)36/h4-7,12,16-17,20-21,25H,8-11,13-15H2,1-3H3,(H,32,35,36).
What are the key properties of 3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 514.63 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 155195024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).