3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

C25H23Cl2N5O3 — CID 155194460

IUPAC3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)c3cccc4c(Cc5cc(Cl)nn5C5CCN(Cl)CC5)ccc2c34)C(=O)N1
InChIInChI=1S/C25H23Cl2N5O3/c26-21-13-16(32(29-21)15-8-10-30(27)11-9-15)12-14-4-5-19-23-17(14)2-1-3-18(23)25(35)31(19)20-6-7-22(33)28-24(20)34/h1-5,13,15,20H,6-12H2,(H,28,33,34)
InChIKeyJKUSUQTYVRHKGV-UHFFFAOYSA-N
MW512.40 g/mol
LogP3.84
Rot. Bonds4

About 3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 155194460) has the molecular formula C25H23Cl2N5O3 and a molecular weight of 512.40 g/mol. Its IUPAC name is 3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
PubChem CID155194460
Molecular FormulaC25H23Cl2N5O3
Molecular Weight512.40 g/mol
Exact Mass511.12
IUPAC Name3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)c3cccc4c(Cc5cc(Cl)nn5C5CCN(Cl)CC5)ccc2c34)C(=O)N1
InChIInChI=1S/C25H23Cl2N5O3/c26-21-13-16(32(29-21)15-8-10-30(27)11-9-15)12-14-4-5-19-23-17(14)2-1-3-18(23)25(35)31(19)20-6-7-22(33)28-24(20)34/h1-5,13,15,20H,6-12H2,(H,28,33,34)
InChIKeyJKUSUQTYVRHKGV-UHFFFAOYSA-N
XLogP3.84
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]benzaldehyde
CID 155195102
3-[5-[(1-chloroazetidin-3-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 169102169
(3R)-3-[6-[[4-[[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155207568
4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]piperidine-1-carboxylic acid
CID 155195098
3-[6-[[4-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155207649
3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155194509
3-[6-[[1-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155710475
(3R)-3-[6-[[1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 167187644
3-[6-[[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
CID 155194904
(3S)-3-[6-[[4-(1-oxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155207648
3-[2-oxo-6-[[1-[1-[(7S)-spiro[3.4]octan-7-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155208151
3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 164836486

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (CID 155194460) is 3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is O=C1CCC(N2C(=O)c3cccc4c(Cc5cc(Cl)nn5C5CCN(Cl)CC5)ccc2c34)C(=O)N1.
What is the InChIKey of 3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The InChIKey is JKUSUQTYVRHKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O3/c26-21-13-16(32(29-21)15-8-10-30(27)11-9-15)12-14-4-5-19-23-17(14)2-1-3-18(23)25(35)31(19)20-6-7-22(33)28-24(20)34/h1-5,13,15,20H,6-12H2,(H,28,33,34).
What are the key properties of 3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 512.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[3-chloro-1-(1-chloropiperidin-4-yl)pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 155194460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).