1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione

C25H22N4O2 — CID 23171559

IUPAC1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)CC(CN)C4)C2=O)c2ccccc21
InChIInChI=1S/C25H22N4O2/c1-27-14-19(16-6-2-4-8-20(16)27)18-11-23(30)29(25(18)31)24-17-7-3-5-9-21(17)28-13-15(12-26)10-22(24)28/h2-9,11,14-15H,10,12-13,26H2,1H3
InChIKeyKWTIOGQTZVSLGD-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.22
Rot. Bonds3

About 1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione

1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 23171559) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID23171559
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)CC(CN)C4)C2=O)c2ccccc21
InChIInChI=1S/C25H22N4O2/c1-27-14-19(16-6-2-4-8-20(16)27)18-11-23(30)29(25(18)31)24-17-7-3-5-9-21(17)28-13-15(12-26)10-22(24)28/h2-9,11,14-15H,10,12-13,26H2,1H3
InChIKeyKWTIOGQTZVSLGD-UHFFFAOYSA-N
XLogP3.22
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 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) is 1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)CC(CN)C4)C2=O)c2ccccc21.
What is the InChIKey of 1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is KWTIOGQTZVSLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-27-14-19(16-6-2-4-8-20(16)27)18-11-23(30)29(25(18)31)24-17-7-3-5-9-21(17)28-13-15(12-26)10-22(24)28/h2-9,11,14-15H,10,12-13,26H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione?
1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 410.48 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 23171559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).