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

C25H22N4O2 — CID 5327745

IUPAC3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCC(N)C4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H22N4O2/c1-28-13-17(15-6-2-4-8-18(15)28)22-23(25(31)27-24(22)30)21-16-7-3-5-9-19(16)29-11-10-14(26)12-20(21)29/h2-9,13-14H,10-12,26H2,1H3,(H,27,30,31)
InChIKeyATHFHYZCZDBKEB-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.97
Rot. Bonds2

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

3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327745) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327745
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCC(N)C4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H22N4O2/c1-28-13-17(15-6-2-4-8-18(15)28)22-23(25(31)27-24(22)30)21-16-7-3-5-9-19(16)29-11-10-14(26)12-20(21)29/h2-9,13-14H,10-12,26H2,1H3,(H,27,30,31)
InChIKeyATHFHYZCZDBKEB-UHFFFAOYSA-N
XLogP2.97
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
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 3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327745) is 3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3c4n(c5ccccc35)CCC(N)C4)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is ATHFHYZCZDBKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-28-13-17(15-6-2-4-8-18(15)28)22-23(25(31)27-24(22)30)21-16-7-3-5-9-19(16)29-11-10-14(26)12-20(21)29/h2-9,13-14H,10-12,26H2,1H3,(H,27,30,31).
What are the key properties of 3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 410.48 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).