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

C25H22N4O2 — CID 23645855

IUPAC3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESNCC1CCn2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)C1
InChIInChI=1S/C25H22N4O2/c26-12-14-9-10-29-19-8-4-2-6-16(19)21(20(29)11-14)23-22(24(30)28-25(23)31)17-13-27-18-7-3-1-5-15(17)18/h1-8,13-14,27H,9-12,26H2,(H,28,30,31)
InChIKeyWCPRHIKZZFXHSD-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.21
Rot. Bonds3

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

3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 23645855) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID23645855
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESNCC1CCn2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)C1
InChIInChI=1S/C25H22N4O2/c26-12-14-9-10-29-19-8-4-2-6-16(19)21(20(29)11-14)23-22(24(30)28-25(23)31)17-13-27-18-7-3-1-5-15(17)18/h1-8,13-14,27H,9-12,26H2,(H,28,30,31)
InChIKeyWCPRHIKZZFXHSD-UHFFFAOYSA-N
XLogP3.21
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 23645855) is 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is NCC1CCn2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)C1.
What is the InChIKey of 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is WCPRHIKZZFXHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c26-12-14-9-10-29-19-8-4-2-6-16(19)21(20(29)11-14)23-22(24(30)28-25(23)31)17-13-27-18-7-3-1-5-15(17)18/h1-8,13-14,27H,9-12,26H2,(H,28,30,31).
What are the key properties of 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 410.48 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 23645855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).