1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride

C26H25ClN4O2 — CID 67652754

IUPAC1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
SMILESCl.Cn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)CCC(CN)C4)C2=O)c2ccccc21
InChIInChI=1S/C26H24N4O2.ClH/c1-28-15-20(17-6-2-4-8-21(17)28)19-13-24(31)30(26(19)32)25-18-7-3-5-9-22(18)29-11-10-16(14-27)12-23(25)29;/h2-9,13,15-16H,10-12,14,27H2,1H3;1H
InChIKeyMBGIYKQWJGMJLR-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.03
Rot. Bonds3

About 1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride

1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride (PubChem CID 67652754) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
PubChem CID67652754
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
SMILESCl.Cn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)CCC(CN)C4)C2=O)c2ccccc21
InChIInChI=1S/C26H24N4O2.ClH/c1-28-15-20(17-6-2-4-8-21(17)28)19-13-24(31)30(26(19)32)25-18-7-3-5-9-22(18)29-11-10-16(14-27)12-23(25)29;/h2-9,13,15-16H,10-12,14,27H2,1H3;1H
InChIKeyMBGIYKQWJGMJLR-UHFFFAOYSA-N
XLogP4.03
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride 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

1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 67653215
1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 67653331
1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 23171559
3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 19696346
tert-butyl N-[10-[3-(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]carbamate
CID 67653386
3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 45266067
3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)-1H-1,2,4-triazol-5-one
CID 18385287
3-[8-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327749
tert-butyl N-[[10-[1-hydroxy-4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl]methyl]carbamate
CID 23171553
3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-2-yl)pyrrole-2,5-dione;hydrochloride
CID 73357693
1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione
CID 67652727
3-[7-(aminomethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-11-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327743

Frequently Asked Questions

What is the IUPAC name of 1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride?
The IUPAC name of 1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride (CID 67652754) is 1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride is Cl.Cn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)CCC(CN)C4)C2=O)c2ccccc21.
What is the InChIKey of 1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride?
The InChIKey is MBGIYKQWJGMJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2.ClH/c1-28-15-20(17-6-2-4-8-21(17)28)19-13-24(31)30(26(19)32)25-18-7-3-5-9-22(18)29-11-10-16(14-27)12-23(25)29;/h2-9,13,15-16H,10-12,14,27H2,1H3;1H.
What are the key properties of 1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride?
1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride has a molecular weight of 460.97 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 67652754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).