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

C27H26N4O2 — CID 23645856

IUPAC3-[8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CC1CCn2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)C1
InChIInChI=1S/C27H26N4O2/c1-30(2)15-16-11-12-31-21-10-6-4-8-18(21)23(22(31)13-16)25-24(26(32)29-27(25)33)19-14-28-20-9-5-3-7-17(19)20/h3-10,14,16,28H,11-13,15H2,1-2H3,(H,29,32,33)
InChIKeyKAUXQCPPAWLYAB-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.81
Rot. Bonds4

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

3-[8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 23645856) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-[8-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID23645856
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name3-[8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CC1CCn2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)C1
InChIInChI=1S/C27H26N4O2/c1-30(2)15-16-11-12-31-21-10-6-4-8-18(21)23(22(31)13-16)25-24(26(32)29-27(25)33)19-14-28-20-9-5-3-7-17(19)20/h3-10,14,16,28H,11-13,15H2,1-2H3,(H,29,32,33)
InChIKeyKAUXQCPPAWLYAB-UHFFFAOYSA-N
XLogP3.81
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
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-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 23645856) is 3-[8-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is CN(C)CC1CCn2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)C1.
What is the InChIKey of 3-[8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is KAUXQCPPAWLYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-30(2)15-16-11-12-31-21-10-6-4-8-18(21)23(22(31)13-16)25-24(26(32)29-27(25)33)19-14-28-20-9-5-3-7-17(19)20/h3-10,14,16,28H,11-13,15H2,1-2H3,(H,29,32,33).
What are the key properties of 3-[8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[8-[(dimethylamino)methyl]-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 438.53 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[(dimethylamino)methyl]-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 23645856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).