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

C27H28N4O4 — CID 22410145

IUPAC3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CC(CN(C)C)OC
InChIInChI=1S/C27H28N4O4/c1-30(2)13-17(35-4)14-31-15-21(19-11-16(34-3)9-10-23(19)31)25-24(26(32)29-27(25)33)20-12-28-22-8-6-5-7-18(20)22/h5-12,15,17,28H,13-14H2,1-4H3,(H,29,32,33)
InChIKeyZJKXDNDBVLIMAJ-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.28
Rot. Bonds8

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

3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410145) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410145
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CC(CN(C)C)OC
InChIInChI=1S/C27H28N4O4/c1-30(2)13-17(35-4)14-31-15-21(19-11-16(34-3)9-10-23(19)31)25-24(26(32)29-27(25)33)20-12-28-22-8-6-5-7-18(20)22/h5-12,15,17,28H,13-14H2,1-4H3,(H,29,32,33)
InChIKeyZJKXDNDBVLIMAJ-UHFFFAOYSA-N
XLogP3.28
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410004
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409335
3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409888
3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409711
3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410625
3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410075
3-[5-bromo-1-[3-(dimethylamino)-2-hydroxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409298
3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 15106759
3-[1-(3-ethoxy-2-hydroxypropyl)-6-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409750
3-(1-butyl-5-methoxyindol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;ethanimidamide
CID 145482206
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione
CID 25028895
3-[5-bromo-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409275

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22410145) is 3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CC(CN(C)C)OC.
What is the InChIKey of 3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is ZJKXDNDBVLIMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-30(2)13-17(35-4)14-31-15-21(19-11-16(34-3)9-10-23(19)31)25-24(26(32)29-27(25)33)20-12-28-22-8-6-5-7-18(20)22/h5-12,15,17,28H,13-14H2,1-4H3,(H,29,32,33).
What are the key properties of 3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 472.55 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).