3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C26H23N3O3 — CID 67839378

IUPAC3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4c(n5ccccc35)CC(CO)CC4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H23N3O3/c1-28-13-18(16-6-2-3-7-19(16)28)23-24(26(32)27-25(23)31)22-17-10-9-15(14-30)12-21(17)29-11-5-4-8-20(22)29/h2-8,11,13,15,30H,9-10,12,14H2,1H3,(H,27,31,32)
InChIKeyGTODXTYQWKHBSU-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.10
Rot. Bonds3

About 3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 67839378) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID67839378
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4c(n5ccccc35)CC(CO)CC4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H23N3O3/c1-28-13-18(16-6-2-3-7-19(16)28)23-24(26(32)27-25(23)31)22-17-10-9-15(14-30)12-21(17)29-11-5-4-8-20(22)29/h2-8,11,13,15,30H,9-10,12,14H2,1H3,(H,27,31,32)
InChIKeyGTODXTYQWKHBSU-UHFFFAOYSA-N
XLogP3.10
TPSA75.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 67839378) is 3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3c4c(n5ccccc35)CC(CO)CC4)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is GTODXTYQWKHBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-28-13-18(16-6-2-3-7-19(16)28)23-24(26(32)27-25(23)31)22-17-10-9-15(14-30)12-21(17)29-11-5-4-8-20(22)29/h2-8,11,13,15,30H,9-10,12,14H2,1H3,(H,27,31,32).
What are the key properties of 3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 425.49 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 67839378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).