2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane

C53H54N8O7 — CID 158306890

IUPAC2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane
SMILESC1CCOC1.CN1CCn2cc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cccc(c32)C1.COC(=O)C(=O)c1cn2c3c(cccc13)CN(C)CC2.NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H20N4O2.C15H16N2O3.C10H10N2O.C4H8O/c1-27-9-10-28-13-18(16-7-4-5-14(12-27)22(16)28)21-20(23(29)26-24(21)30)17-11-25-19-8-3-2-6-15(17)19;1-16-6-7-17-9-12(14(18)15(19)20-2)11-5-3-4-10(8-16)13(11)17;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9;1-2-4-5-3-1/h2-8,11,13,25H,9-10,12H2,1H3,(H,26,29,30);3-5,9H,6-8H2,1-2H3;1-4,6,12H,5H2,(H2,11,13);1-4H2
InChIKeyGNEODGKOAGDKAV-UHFFFAOYSA-N
MW915.06 g/mol
LogP6.57
Rot. Bonds6

About 2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane

2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane (PubChem CID 158306890) has the molecular formula C53H54N8O7 and a molecular weight of 915.06 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane.

Molecular Properties

Compound Name2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane
PubChem CID158306890
Molecular FormulaC53H54N8O7
Molecular Weight915.06 g/mol
Exact Mass914.41
IUPAC Name2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane
SMILESC1CCOC1.CN1CCn2cc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cccc(c32)C1.COC(=O)C(=O)c1cn2c3c(cccc13)CN(C)CC2.NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H20N4O2.C15H16N2O3.C10H10N2O.C4H8O/c1-27-9-10-28-13-18(16-7-4-5-14(12-27)22(16)28)21-20(23(29)26-24(21)30)17-11-25-19-8-3-2-6-15(17)19;1-16-6-7-17-9-12(14(18)15(19)20-2)11-5-3-4-10(8-16)13(11)17;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9;1-2-4-5-3-1/h2-8,11,13,25H,9-10,12H2,1H3,(H,26,29,30);3-5,9H,6-8H2,1-2H3;1-4,6,12H,5H2,(H2,11,13);1-4H2
InChIKeyGNEODGKOAGDKAV-UHFFFAOYSA-N
XLogP6.57
TPSA189.78 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500915.06
LogP ≤ 56.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane with MolForge

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Related Compounds

3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-5-sulfanylidenepyrrol-2-one;2-(1H-indol-3-yl)ethanethioamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;oxolane
CID 158898398
3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione;bis(2-(1H-indol-3-yl)acetamide);bis(methyl 2-(1H-indol-3-yl)-2-oxoacetate)
CID 159868233
3-(9,9-dioxo-9λ6-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22556849
3-(1H-indol-3-yl)-4-(6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)pyrrole-2,5-dione
CID 22556672
N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide
CID 22410598
3-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(3R,4R)-3-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 162241566
3-(1-azatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-4-(6-bromo-1H-indol-3-yl)pyrrole-2,5-dione
CID 22556855
3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410318
23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione
CID 10207822
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione;tris(1-methylindole);methyl 2-(1-methylindol-3-yl)-2-oxoacetate;oxolane;propane
CID 160662563
17-methyl-20-oxa-4,14,17,23,26-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione
CID 16667291

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane?
The IUPAC name of 2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane (CID 158306890) is 2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane.
What is the SMILES notation for 2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane?
The canonical SMILES for 2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane is C1CCOC1.CN1CCn2cc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cccc(c32)C1.COC(=O)C(=O)c1cn2c3c(cccc13)CN(C)CC2.NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane?
The InChIKey is GNEODGKOAGDKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2.C15H16N2O3.C10H10N2O.C4H8O/c1-27-9-10-28-13-18(16-7-4-5-14(12-27)22(16)28)21-20(23(29)26-24(21)30)17-11-25-19-8-3-2-6-15(17)19;1-16-6-7-17-9-12(14(18)15(19)20-2)11-5-3-4-10(8-16)13(11)17;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9;1-2-4-5-3-1/h2-8,11,13,25H,9-10,12H2,1H3,(H,26,29,30);3-5,9H,6-8H2,1-2H3;1-4,6,12H,5H2,(H2,11,13);1-4H2.
What are the key properties of 2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane?
2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane has a molecular weight of 915.06 g/mol, XLogP of 6.57, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)acetamide;3-(1H-indol-3-yl)-4-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione;methyl 2-(10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-2-oxoacetate;oxolane is sourced from PubChem (CID 158306890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).