2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one

C24H30N4O — CID 10834268

IUPAC2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
SMILESO=C1Nc2cccc3c2C1(CCCCN1CCN(c2ccccn2)CC1)CCC3
InChIInChI=1S/C24H30N4O/c29-23-24(12-6-8-19-7-5-9-20(26-23)22(19)24)11-2-4-14-27-15-17-28(18-16-27)21-10-1-3-13-25-21/h1,3,5,7,9-10,13H,2,4,6,8,11-12,14-18H2,(H,26,29)
InChIKeyFVUIPWOKUJXHAP-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.60
Rot. Bonds6

About 2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one

2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one (PubChem CID 10834268) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one.

Molecular Properties

Compound Name2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
PubChem CID10834268
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
SMILESO=C1Nc2cccc3c2C1(CCCCN1CCN(c2ccccn2)CC1)CCC3
InChIInChI=1S/C24H30N4O/c29-23-24(12-6-8-19-7-5-9-20(26-23)22(19)24)11-2-4-14-27-15-17-28(18-16-27)21-10-1-3-13-25-21/h1,3,5,7,9-10,13H,2,4,6,8,11-12,14-18H2,(H,26,29)
InChIKeyFVUIPWOKUJXHAP-UHFFFAOYSA-N
XLogP3.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one with MolForge

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Related Compounds

Mk-3207
CID 25019940
Epimer A
CID 23582940
2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 25019993
4-(2-Cyclohexylaminopyridin-4-yl)-6-(piperazin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 46901212
MK-4232 (Mixture of Diastereomers)
CID 50939479
2-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 50939608
2-[(6R)-6-(3,5-difluorophenyl)-3,3,4-trimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 57977594
2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 57977652
2-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 69747490
N-[[2-[(diaminomethylideneamino)methyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473424
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473514
2,2-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473608

Frequently Asked Questions

What is the IUPAC name of 2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
The IUPAC name of 2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one (CID 10834268) is 2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one.
What is the SMILES notation for 2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
The canonical SMILES for 2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one is O=C1Nc2cccc3c2C1(CCCCN1CCN(c2ccccn2)CC1)CCC3.
What is the InChIKey of 2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
The InChIKey is FVUIPWOKUJXHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c29-23-24(12-6-8-19-7-5-9-20(26-23)22(19)24)11-2-4-14-27-15-17-28(18-16-27)21-10-1-3-13-25-21/h1,3,5,7,9-10,13H,2,4,6,8,11-12,14-18H2,(H,26,29).
What are the key properties of 2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one has a molecular weight of 390.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2a-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one is sourced from PubChem (CID 10834268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).