3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C29H30N4O3 — CID 22410230

IUPAC3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CC(O)CN3CCCCC3)c2c1
InChIInChI=1S/C29H30N4O3/c1-18-9-10-21-23(17-33(25(21)13-18)16-19(34)15-32-11-5-2-6-12-32)27-26(28(35)31-29(27)36)22-14-30-24-8-4-3-7-20(22)24/h3-4,7-10,13-14,17,19,30,34H,2,5-6,11-12,15-16H2,1H3,(H,31,35,36)
InChIKeyXSYVZVVEAMARLV-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.85
Rot. Bonds6

About 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410230) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410230
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CC(O)CN3CCCCC3)c2c1
InChIInChI=1S/C29H30N4O3/c1-18-9-10-21-23(17-33(25(21)13-18)16-19(34)15-32-11-5-2-6-12-32)27-26(28(35)31-29(27)36)22-14-30-24-8-4-3-7-20(22)24/h3-4,7-10,13-14,17,19,30,34H,2,5-6,11-12,15-16H2,1H3,(H,31,35,36)
InChIKeyXSYVZVVEAMARLV-UHFFFAOYSA-N
XLogP3.85
TPSA90.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-5-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 18947115
3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409242
3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410165
3-[1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409458
3-(1H-indol-3-yl)-4-[6-methyl-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410599
3-[6-fluoro-1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410486
N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-piperidin-1-ylpropyl)indol-6-yl]acetamide
CID 22410654
3-[1-(3-ethoxy-2-hydroxypropyl)-6-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409750
3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410318
3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409435
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22410230) is 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is Cc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CC(O)CN3CCCCC3)c2c1.
What is the InChIKey of 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is XSYVZVVEAMARLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-18-9-10-21-23(17-33(25(21)13-18)16-19(34)15-32-11-5-2-6-12-32)27-26(28(35)31-29(27)36)22-14-30-24-8-4-3-7-20(22)24/h3-4,7-10,13-14,17,19,30,34H,2,5-6,11-12,15-16H2,1H3,(H,31,35,36).
What are the key properties of 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 482.58 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).