3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione

C29H32N4O3 — CID 67769335

IUPAC3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCC(N)(CC)C(O)Cn1cc(C2=C(c3c[nH]c4ccc(C)cc34)C(=O)NC2=O)c2cc(C)ccc21
InChIInChI=1S/C29H32N4O3/c1-5-29(30,6-2)24(34)15-33-14-21(19-12-17(4)8-10-23(19)33)26-25(27(35)32-28(26)36)20-13-31-22-9-7-16(3)11-18(20)22/h7-14,24,31,34H,5-6,15,30H2,1-4H3,(H,32,35,36)
InChIKeyAXYQNZTVNBETRF-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.19
Rot. Bonds7

About 3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione

3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 67769335) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID67769335
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCC(N)(CC)C(O)Cn1cc(C2=C(c3c[nH]c4ccc(C)cc34)C(=O)NC2=O)c2cc(C)ccc21
InChIInChI=1S/C29H32N4O3/c1-5-29(30,6-2)24(34)15-33-14-21(19-12-17(4)8-10-23(19)33)26-25(27(35)32-28(26)36)20-13-31-22-9-7-16(3)11-18(20)22/h7-14,24,31,34H,5-6,15,30H2,1-4H3,(H,32,35,36)
InChIKeyAXYQNZTVNBETRF-UHFFFAOYSA-N
XLogP4.19
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-hydroxypropyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410438
3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410468
3-[1-[3-(dimethylamino)-2-hydroxypropyl]-5-(trifluoromethyl)indol-3-yl]-4-[5-(trifluoromethyl)-1H-indol-3-yl]pyrrole-2,5-dione
CID 22409693
N-[3-[4-[5-acetamido-1-(3-ethoxy-2-hydroxypropyl)indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]acetamide
CID 22409300
3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410230
3-[1-(1-amino-3-ethyl-2-hydroxypentan-3-yl)-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 67768882
3-[1-(3-aminopropyl)-5-bromoindol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione
CID 22409840
3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410630
3-[1-[3-(diethylamino)propyl]-5-(trifluoromethyl)indol-3-yl]-4-[5-(trifluoromethyl)-1H-indol-3-yl]pyrrole-2,5-dione
CID 22410399
3-[5-bromo-1-[3-(dimethylamino)-2-hydroxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409298
3-[1-(2-aminoethyl)-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410386
3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione
CID 22409690

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione (CID 67769335) is 3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione is CCC(N)(CC)C(O)Cn1cc(C2=C(c3c[nH]c4ccc(C)cc34)C(=O)NC2=O)c2cc(C)ccc21.
What is the InChIKey of 3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is AXYQNZTVNBETRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-5-29(30,6-2)24(34)15-33-14-21(19-12-17(4)8-10-23(19)33)26-25(27(35)32-28(26)36)20-13-31-22-9-7-16(3)11-18(20)22/h7-14,24,31,34H,5-6,15,30H2,1-4H3,(H,32,35,36).
What are the key properties of 3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 484.60 g/mol, XLogP of 4.19, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-amino-3-ethyl-2-hydroxypentyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 67769335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).