3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione

C25H21N3O2 — CID 5327736

IUPAC3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCCC4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H21N3O2/c1-27-14-17(15-8-2-4-10-18(15)27)22-23(25(30)26-24(22)29)21-16-9-3-5-11-19(16)28-13-7-6-12-20(21)28/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,26,29,30)
InChIKeyVPTSHTDSHSZINV-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.04
Rot. Bonds2

About 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione (PubChem CID 5327736) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione
PubChem CID5327736
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCCC4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H21N3O2/c1-27-14-17(15-8-2-4-10-18(15)27)22-23(25(30)26-24(22)29)21-16-9-3-5-11-19(16)28-13-7-6-12-20(21)28/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,26,29,30)
InChIKeyVPTSHTDSHSZINV-UHFFFAOYSA-N
XLogP4.04
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 33625
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3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
SB 216763
CID 176158
Pf-06840003
CID 23063810
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
CID 5327686
Indoramin hydrochloride
CID 38102
Bisindolylmaleimide VIII
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Brevianamide F
CID 181567
5-Fluoro CUMYL-PICA
CID 117650397

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione (CID 5327736) is 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3c4n(c5ccccc35)CCCC4)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione?
The InChIKey is VPTSHTDSHSZINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-27-14-17(15-8-2-4-10-18(15)27)22-23(25(30)26-24(22)29)21-16-9-3-5-11-19(16)28-13-7-6-12-20(21)28/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,26,29,30).
What are the key properties of 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione has a molecular weight of 395.46 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).