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

C27H26N4O2 — CID 67653331

IUPAC1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)CCC(CCN)C4)C2=O)c2ccccc21
InChIInChI=1S/C27H26N4O2/c1-29-16-21(18-6-2-4-8-22(18)29)20-15-25(32)31(27(20)33)26-19-7-3-5-9-23(19)30-13-11-17(10-12-28)14-24(26)30/h2-9,15-17H,10-14,28H2,1H3
InChIKeyZNIFRRIDQIWYJB-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.00
Rot. Bonds4

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

1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 67653331) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID67653331
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)CCC(CCN)C4)C2=O)c2ccccc21
InChIInChI=1S/C27H26N4O2/c1-29-16-21(18-6-2-4-8-22(18)29)20-15-25(32)31(27(20)33)26-19-7-3-5-9-23(19)30-13-11-17(10-12-28)14-24(26)30/h2-9,15-17H,10-14,28H2,1H3
InChIKeyZNIFRRIDQIWYJB-UHFFFAOYSA-N
XLogP4.00
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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
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
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-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327749
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-[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-[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-3-yl)-1H-1,2,4-triazol-5-one
CID 18385287
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-[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
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
CID 14525661

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 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) is 1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)CCC(CCN)C4)C2=O)c2ccccc21.
What is the InChIKey of 1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is ZNIFRRIDQIWYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-29-16-21(18-6-2-4-8-22(18)29)20-15-25(32)31(27(20)33)26-19-7-3-5-9-23(19)30-13-11-17(10-12-28)14-24(26)30/h2-9,15-17H,10-14,28H2,1H3.
What are the key properties of 1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione?
1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 438.53 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 67653331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).