1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C26H26N4O2 — CID 67598052

IUPAC1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCCN1C(=O)C(c2cc3ccccc3[nH]2)=C(c2cn(C)c3ccccc23)C1=O
InChIInChI=1S/C26H26N4O2/c1-28(2)13-8-14-30-25(31)23(19-16-29(3)22-12-7-5-10-18(19)22)24(26(30)32)21-15-17-9-4-6-11-20(17)27-21/h4-7,9-12,15-16,27H,8,13-14H2,1-3H3
InChIKeyPUSBZZFCRXFBQQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.89
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 67598052) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID67598052
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCCN1C(=O)C(c2cc3ccccc3[nH]2)=C(c2cn(C)c3ccccc23)C1=O
InChIInChI=1S/C26H26N4O2/c1-28(2)13-8-14-30-25(31)23(19-16-29(3)22-12-7-5-10-18(19)22)24(26(30)32)21-15-17-9-4-6-11-20(17)27-21/h4-7,9-12,15-16,27H,8,13-14H2,1-3H3
InChIKeyPUSBZZFCRXFBQQ-UHFFFAOYSA-N
XLogP3.89
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
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 1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 67598052) is 1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is CN(C)CCCN1C(=O)C(c2cc3ccccc3[nH]2)=C(c2cn(C)c3ccccc23)C1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is PUSBZZFCRXFBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-28(2)13-8-14-30-25(31)23(19-16-29(3)22-12-7-5-10-18(19)22)24(26(30)32)21-15-17-9-4-6-11-20(17)27-21/h4-7,9-12,15-16,27H,8,13-14H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 426.52 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 67598052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).