3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C28H31N5O3 — CID 22409888

IUPAC3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(N(C)C)cc21
InChIInChI=1S/C28H31N5O3/c1-31(2)14-18(36-5)15-33-16-22(20-11-10-17(32(3)4)12-24(20)33)26-25(27(34)30-28(26)35)21-13-29-23-9-7-6-8-19(21)23/h6-13,16,18,29H,14-15H2,1-5H3,(H,30,34,35)
InChIKeyCFZYXHBGDCZTRN-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.33
Rot. Bonds8

About 3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22409888) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22409888
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(N(C)C)cc21
InChIInChI=1S/C28H31N5O3/c1-31(2)14-18(36-5)15-33-16-22(20-11-10-17(32(3)4)12-24(20)33)26-25(27(34)30-28(26)35)21-13-29-23-9-7-6-8-19(21)23/h6-13,16,18,29H,14-15H2,1-5H3,(H,30,34,35)
InChIKeyCFZYXHBGDCZTRN-UHFFFAOYSA-N
XLogP3.33
TPSA82.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.33
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-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410145
3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409711
3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410165
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409335
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-[6-amino-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410652
3-[1-[2-(dimethylamino)ethyl]-6-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409890
3-[1-[3-(diethylamino)propyl]-6-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410556
3-[1-(3-ethoxy-2-hydroxypropyl)-6-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409750
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-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22409888) is 3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is COC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(N(C)C)cc21.
What is the InChIKey of 3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is CFZYXHBGDCZTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-31(2)14-18(36-5)15-33-16-22(20-11-10-17(32(3)4)12-24(20)33)26-25(27(34)30-28(26)35)21-13-29-23-9-7-6-8-19(21)23/h6-13,16,18,29H,14-15H2,1-5H3,(H,30,34,35).
What are the key properties of 3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 485.59 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22409888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).