4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide

C31H27N5O6 — CID 166852713

IUPAC4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]c(C(=O)N3CCc4c3cc(O)c3[nH]c(C(=O)N5CCOCC5)cc43)cc2c1)c1ccc(O)cc1
InChIInChI=1S/C31H27N5O6/c37-20-4-1-17(2-5-20)29(39)32-19-3-6-23-18(13-19)14-24(33-23)31(41)36-8-7-21-22-15-25(30(40)35-9-11-42-12-10-35)34-28(22)27(38)16-26(21)36/h1-6,13-16,33-34,37-38H,7-12H2,(H,32,39)
InChIKeyATWYMSROALMTLU-UHFFFAOYSA-N
MW565.59 g/mol
LogP3.99
Rot. Bonds4

About 4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide

4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide (PubChem CID 166852713) has the molecular formula C31H27N5O6 and a molecular weight of 565.59 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide
PubChem CID166852713
Molecular FormulaC31H27N5O6
Molecular Weight565.59 g/mol
Exact Mass565.20
IUPAC Name4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]c(C(=O)N3CCc4c3cc(O)c3[nH]c(C(=O)N5CCOCC5)cc43)cc2c1)c1ccc(O)cc1
InChIInChI=1S/C31H27N5O6/c37-20-4-1-17(2-5-20)29(39)32-19-3-6-23-18(13-19)14-24(33-23)31(41)36-8-7-21-22-15-25(30(40)35-9-11-42-12-10-35)34-28(22)27(38)16-26(21)36/h1-6,13-16,33-34,37-38H,7-12H2,(H,32,39)
InChIKeyATWYMSROALMTLU-UHFFFAOYSA-N
XLogP3.99
TPSA150.99 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.59
LogP ≤ 53.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide with MolForge

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Related Compounds

[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone
CID 134275541
[3-[5-[(4-aminobenzoyl)amino]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate
CID 126738536
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
4-acetyl-N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]benzamide
CID 89058760
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
4-[[(2S)-5-(carbamoylamino)-2-[[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethylamino]acetyl]amino]pentanoyl]amino]-N-[2-(5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1H-indol-5-yl]benzamide
CID 143718772
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
N-[2-[8-(chloromethyl)-4-hydroxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]quinoline-3-carboxamide
CID 142653598
methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate
CID 142095448
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide
CID 70822854
morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone
CID 69282983

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide (CID 166852713) is 4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide is O=C(Nc1ccc2[nH]c(C(=O)N3CCc4c3cc(O)c3[nH]c(C(=O)N5CCOCC5)cc43)cc2c1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide?
The InChIKey is ATWYMSROALMTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O6/c37-20-4-1-17(2-5-20)29(39)32-19-3-6-23-18(13-19)14-24(33-23)31(41)36-8-7-21-22-15-25(30(40)35-9-11-42-12-10-35)34-28(22)27(38)16-26(21)36/h1-6,13-16,33-34,37-38H,7-12H2,(H,32,39).
What are the key properties of 4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide?
4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide has a molecular weight of 565.59 g/mol, XLogP of 3.99, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 166852713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).