3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C26H24N4O2 — CID 22556677

IUPAC3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CC1Cc2cccc3c(C4=C(c5c[nH]c6ccccc56)C(=O)NC4=O)cn(c23)C1
InChIInChI=1S/C26H24N4O2/c1-29(2)12-15-10-16-6-5-8-18-20(14-30(13-15)24(16)18)23-22(25(31)28-26(23)32)19-11-27-21-9-4-3-7-17(19)21/h3-9,11,14-15,27H,10,12-13H2,1-2H3,(H,28,31,32)
InChIKeyAPQZPPCCOLEAKP-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.42
Rot. Bonds4

About 3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22556677) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22556677
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CC1Cc2cccc3c(C4=C(c5c[nH]c6ccccc56)C(=O)NC4=O)cn(c23)C1
InChIInChI=1S/C26H24N4O2/c1-29(2)12-15-10-16-6-5-8-18-20(14-30(13-15)24(16)18)23-22(25(31)28-26(23)32)19-11-27-21-9-4-3-7-17(19)21/h3-9,11,14-15,27H,10,12-13H2,1-2H3,(H,28,31,32)
InChIKeyAPQZPPCCOLEAKP-UHFFFAOYSA-N
XLogP3.42
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-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-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22556677) is 3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is CN(C)CC1Cc2cccc3c(C4=C(c5c[nH]c6ccccc56)C(=O)NC4=O)cn(c23)C1.
What is the InChIKey of 3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is APQZPPCCOLEAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-29(2)12-15-10-16-6-5-8-18-20(14-30(13-15)24(16)18)23-22(25(31)28-26(23)32)19-11-27-21-9-4-3-7-17(19)21/h3-9,11,14-15,27H,10,12-13H2,1-2H3,(H,28,31,32).
What are the key properties of 3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 424.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[(dimethylamino)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22556677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).