3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate

C128H115N11O11 — CID 163703874

IUPAC3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate
SMILESC1=C(C(c2c[nH]c3ccccc23)C2CC2)c2ccccc2C1.COC(=O)c1c(C(c2c[nH]c3ccccc23)C2CC2)[nH]c2ccc(C)cc12.COC(=O)c1c(C(c2c[nH]c3ccccc23)C2CC2)[nH]c2ccccc12.Cc1ccc2[nH]c(C(C)c3cn(C=O)c4ccccc34)c(C=O)c2c1.Cc1ccc2c(c1)c(C=O)c(C(C)c1c[nH]c3ccccc13)n2C=O.O=C(O)C(O)Cc1c(Cc2c[nH]c3ccccc23)[nH]c2ccccc12
InChIInChI=1S/C23H22N2O2.C22H20N2O2.2C21H18N2O2.C21H19N.C20H18N2O3/c1-13-7-10-19-16(11-13)21(23(26)27-2)22(25-19)20(14-8-9-14)17-12-24-18-6-4-3-5-15(17)18;1-26-22(25)20-15-7-3-5-9-18(15)24-21(20)19(13-10-11-13)16-12-23-17-8-4-2-6-14(16)17;1-13-7-8-19-16(9-13)18(11-24)21(22-19)14(2)17-10-23(12-25)20-6-4-3-5-15(17)20;1-13-7-8-20-16(9-13)18(11-24)21(23(20)12-25)14(2)17-10-22-19-6-4-3-5-15(17)19;1-2-6-16-14(5-1)11-12-18(16)21(15-9-10-15)19-13-22-20-8-4-3-7-17(19)20;23-19(20(24)25)10-15-14-6-2-4-8-17(14)22-18(15)9-12-11-21-16-7-3-1-5-13(12)16/h3-7,10-12,14,20,24-25H,8-9H2,1-2H3;2-9,12-13,19,23-24H,10-11H2,1H3;2*3-12,14,22H,1-2H3;1-8,12-13,15,21-22H,9-11H2;1-8,11,19,21-23H,9-10H2,(H,24,25)
InChIKeyKDJADIKSCHBERR-UHFFFAOYSA-N
MW1983.39 g/mol
LogP27.66
Rot. Bonds24

About 3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate

3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate (PubChem CID 163703874) has the molecular formula C128H115N11O11 and a molecular weight of 1983.39 g/mol. Its IUPAC name is 3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate
PubChem CID163703874
Molecular FormulaC128H115N11O11
Molecular Weight1983.39 g/mol
Exact Mass1981.88
IUPAC Name3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate
SMILESC1=C(C(c2c[nH]c3ccccc23)C2CC2)c2ccccc2C1.COC(=O)c1c(C(c2c[nH]c3ccccc23)C2CC2)[nH]c2ccc(C)cc12.COC(=O)c1c(C(c2c[nH]c3ccccc23)C2CC2)[nH]c2ccccc12.Cc1ccc2[nH]c(C(C)c3cn(C=O)c4ccccc34)c(C=O)c2c1.Cc1ccc2c(c1)c(C=O)c(C(C)c1c[nH]c3ccccc13)n2C=O.O=C(O)C(O)Cc1c(Cc2c[nH]c3ccccc23)[nH]c2ccccc12
InChIInChI=1S/C23H22N2O2.C22H20N2O2.2C21H18N2O2.C21H19N.C20H18N2O3/c1-13-7-10-19-16(11-13)21(23(26)27-2)22(25-19)20(14-8-9-14)17-12-24-18-6-4-3-5-15(17)18;1-26-22(25)20-15-7-3-5-9-18(15)24-21(20)19(13-10-11-13)16-12-23-17-8-4-2-6-14(16)17;1-13-7-8-19-16(9-13)18(11-24)21(22-19)14(2)17-10-23(12-25)20-6-4-3-5-15(17)20;1-13-7-8-20-16(9-13)18(11-24)21(23(20)12-25)14(2)17-10-22-19-6-4-3-5-15(17)19;1-2-6-16-14(5-1)11-12-18(16)21(15-9-10-15)19-13-22-20-8-4-3-7-17(19)20;23-19(20(24)25)10-15-14-6-2-4-8-17(14)22-18(15)9-12-11-21-16-7-3-1-5-13(12)16/h3-7,10-12,14,20,24-25H,8-9H2,1-2H3;2-9,12-13,19,23-24H,10-11H2,1H3;2*3-12,14,22H,1-2H3;1-8,12-13,15,21-22H,9-11H2;1-8,11,19,21-23H,9-10H2,(H,24,25)
InChIKeyKDJADIKSCHBERR-UHFFFAOYSA-N
XLogP27.66
TPSA330.38 Ų
H-Bond Donors11
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001983.39
LogP ≤ 527.66
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate with MolForge

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Related Compounds

(2S)-2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid
CID 142164854
2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate
CID 165029068
2-[1-[5-[3-(hydroxymethyl)-2-(1H-indol-3-ylmethyl)-1H-indol-5-yl]-1H-indol-3-yl]ethyl]-1H-indole-3-carbaldehyde
CID 146186277
methyl 2-[1-[5-[2-(1H-indol-3-ylmethyl)-1H-indol-5-yl]-1H-indol-3-yl]ethyl]-1H-indole-3-carboxylate
CID 149261750
2-[1-(1H-indol-3-yl)ethyl]-1H-indole-3-carboxylic acid;2-(1H-indol-3-ylmethyl)-1H-indole
CID 153352960
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905462
methyl 3-(1H-indol-3-ylmethyl)-2-methyl-1H-indole-6-carboxylate
CID 163421235
3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole
CID 157471669
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
(E)-3-[1-[2-hydroxy-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]propyl]indol-3-yl]-1-(4-methylphenyl)prop-2-en-1-one
CID 6223387
N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 70208719

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate?
The IUPAC name of 3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate (CID 163703874) is 3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for 3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate?
The canonical SMILES for 3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate is C1=C(C(c2c[nH]c3ccccc23)C2CC2)c2ccccc2C1.COC(=O)c1c(C(c2c[nH]c3ccccc23)C2CC2)[nH]c2ccc(C)cc12.COC(=O)c1c(C(c2c[nH]c3ccccc23)C2CC2)[nH]c2ccccc12.Cc1ccc2[nH]c(C(C)c3cn(C=O)c4ccccc34)c(C=O)c2c1.Cc1ccc2c(c1)c(C=O)c(C(C)c1c[nH]c3ccccc13)n2C=O.O=C(O)C(O)Cc1c(Cc2c[nH]c3ccccc23)[nH]c2ccccc12.
What is the InChIKey of 3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate?
The InChIKey is KDJADIKSCHBERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2.C22H20N2O2.2C21H18N2O2.C21H19N.C20H18N2O3/c1-13-7-10-19-16(11-13)21(23(26)27-2)22(25-19)20(14-8-9-14)17-12-24-18-6-4-3-5-15(17)18;1-26-22(25)20-15-7-3-5-9-18(15)24-21(20)19(13-10-11-13)16-12-23-17-8-4-2-6-14(16)17;1-13-7-8-19-16(9-13)18(11-24)21(22-19)14(2)17-10-23(12-25)20-6-4-3-5-15(17)20;1-13-7-8-20-16(9-13)18(11-24)21(23(20)12-25)14(2)17-10-22-19-6-4-3-5-15(17)19;1-2-6-16-14(5-1)11-12-18(16)21(15-9-10-15)19-13-22-20-8-4-3-7-17(19)20;23-19(20(24)25)10-15-14-6-2-4-8-17(14)22-18(15)9-12-11-21-16-7-3-1-5-13(12)16/h3-7,10-12,14,20,24-25H,8-9H2,1-2H3;2-9,12-13,19,23-24H,10-11H2,1H3;2*3-12,14,22H,1-2H3;1-8,12-13,15,21-22H,9-11H2;1-8,11,19,21-23H,9-10H2,(H,24,25).
What are the key properties of 3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate?
3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate has a molecular weight of 1983.39 g/mol, XLogP of 27.66, 24 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 163703874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).