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

C27H29N5O3 — CID 67592607

IUPAC3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCNC(C)C(NC)c1[nH]c2ccccc2c1C1=C(c2cn(C)c3ccc(OC)cc23)C(=O)NC1=O
InChIInChI=1S/C27H29N5O3/c1-14(28-2)24(29-3)25-21(16-8-6-7-9-19(16)30-25)23-22(26(33)31-27(23)34)18-13-32(4)20-11-10-15(35-5)12-17(18)20/h6-14,24,28-30H,1-5H3,(H,31,33,34)
InChIKeyMAVUJRULPFQQFF-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.10
Rot. Bonds7

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

3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 67592607) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID67592607
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCNC(C)C(NC)c1[nH]c2ccccc2c1C1=C(c2cn(C)c3ccc(OC)cc23)C(=O)NC1=O
InChIInChI=1S/C27H29N5O3/c1-14(28-2)24(29-3)25-21(16-8-6-7-9-19(16)30-25)23-22(26(33)31-27(23)34)18-13-32(4)20-11-10-15(35-5)12-17(18)20/h6-14,24,28-30H,1-5H3,(H,31,33,34)
InChIKeyMAVUJRULPFQQFF-UHFFFAOYSA-N
XLogP3.10
TPSA100.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione (CID 67592607) is 3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione is CNC(C)C(NC)c1[nH]c2ccccc2c1C1=C(c2cn(C)c3ccc(OC)cc23)C(=O)NC1=O.
What is the InChIKey of 3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is MAVUJRULPFQQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-14(28-2)24(29-3)25-21(16-8-6-7-9-19(16)30-25)23-22(26(33)31-27(23)34)18-13-32(4)20-11-10-15(35-5)12-17(18)20/h6-14,24,28-30H,1-5H3,(H,31,33,34).
What are the key properties of 3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione?
3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 471.56 g/mol, XLogP of 3.10, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 67592607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).