ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate

C74H78N10O10 — CID 158809925

IUPACethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)/C=C(/c1cc(OC)c2cc[nH]c2c1)c1ccccn1.CCOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1.CNCCC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1.CNOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C19H20N2O3.C19H18N2O3.C18H19N3O3.C18H21N3O/c2*1-3-24-19(22)12-15(16-6-4-5-8-20-16)13-10-17-14(7-9-21-17)18(11-13)23-2;1-19-24-18(22)11-14(15-5-3-4-7-20-15)12-9-16-13(6-8-21-16)17(10-12)23-2;1-19-9-6-14(16-5-3-4-8-20-16)13-11-17-15(7-10-21-17)18(12-13)22-2/h4-11,15,21H,3,12H2,1-2H3;4-12,21H,3H2,1-2H3;3-10,14,19,21H,11H2,1-2H3;3-5,7-8,10-12,14,19,21H,6,9H2,1-2H3/b;15-12-;;
InChIKeyIUNYDTKCQKFIQE-ITGOBVPDSA-N
MW1267.50 g/mol
LogP13.31
Rot. Bonds23

About ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate

ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate (PubChem CID 158809925) has the molecular formula C74H78N10O10 and a molecular weight of 1267.50 g/mol. Its IUPAC name is ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate
PubChem CID158809925
Molecular FormulaC74H78N10O10
Molecular Weight1267.50 g/mol
Exact Mass1266.59
IUPAC Nameethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)/C=C(/c1cc(OC)c2cc[nH]c2c1)c1ccccn1.CCOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1.CNCCC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1.CNOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C19H20N2O3.C19H18N2O3.C18H19N3O3.C18H21N3O/c2*1-3-24-19(22)12-15(16-6-4-5-8-20-16)13-10-17-14(7-9-21-17)18(11-13)23-2;1-19-24-18(22)11-14(15-5-3-4-7-20-15)12-9-16-13(6-8-21-16)17(10-12)23-2;1-19-9-6-14(16-5-3-4-8-20-16)13-11-17-15(7-10-21-17)18(12-13)22-2/h4-11,15,21H,3,12H2,1-2H3;4-12,21H,3H2,1-2H3;3-10,14,19,21H,11H2,1-2H3;3-5,7-8,10-12,14,19,21H,6,9H2,1-2H3/b;15-12-;;
InChIKeyIUNYDTKCQKFIQE-ITGOBVPDSA-N
XLogP13.31
TPSA254.60 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001267.50
LogP ≤ 513.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate with MolForge

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Related Compounds

(4R)-4-[(1R)-1-[7-[5-(1,1-difluoroethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(1,1-difluoroethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(1-fluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(1-fluoroethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157486031
4-[(6S,8aS)-6-[[4-[6-(difluoromethyl)-2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]benzoyl]oxymethyl]-2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]benzoic acid
CID 171840768
(2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate
CID 176667545
4-[3-[bis(6-methoxy-1H-indol-3-yl)methyl]-6-methoxyindol-3-yl]-4-(6-methoxy-1H-indol-3-yl)butanoic acid
CID 54540312
methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate
CID 59831707
3-(4-Methoxy-1H-indol-6-yl)-3-pyridin-2-yl-propionic acid ethyl ester
CID 59831840
methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate
CID 59831847
3-[2-(4-methoxycarbonylphenyl)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]oxypropyl 4-[4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoate
CID 123191614
3-[(2S,4S)-2-(4-methoxycarbonylphenyl)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]oxypropyl 4-[(2R,4R)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoate
CID 131995013
methyl 4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoate;methyl 4-[(2R,4R)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoate;molecular hydrogen
CID 144777737
methane;methyl (2R)-2-amino-3-(6-methoxy-1H-indol-3-yl)propanoate;methyl (1S,3R)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;methyl (1S,3S)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 157229472
benzyl 2-[(1S,12bS)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]acetate;2-[(1S,12bS)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]-N-butylacetamide;2-[(1S,12bS)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]-N-(3-methoxy-5-methylphenyl)acetamide;2-[(1S,12bS)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]-N-(2-methylphenyl)acetamide;prop-2-enyl 2-[(1S,12bS)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]acetate
CID 157398703

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate (CID 158809925) is ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate is CCOC(=O)/C=C(/c1cc(OC)c2cc[nH]c2c1)c1ccccn1.CCOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1.CNCCC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1.CNOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1.
What is the InChIKey of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
The InChIKey is IUNYDTKCQKFIQE-ITGOBVPDSA-N. The full InChI is InChI=1S/C19H20N2O3.C19H18N2O3.C18H19N3O3.C18H21N3O/c2*1-3-24-19(22)12-15(16-6-4-5-8-20-16)13-10-17-14(7-9-21-17)18(11-13)23-2;1-19-24-18(22)11-14(15-5-3-4-7-20-15)12-9-16-13(6-8-21-16)17(10-12)23-2;1-19-9-6-14(16-5-3-4-8-20-16)13-11-17-15(7-10-21-17)18(12-13)22-2/h4-11,15,21H,3,12H2,1-2H3;4-12,21H,3H2,1-2H3;3-10,14,19,21H,11H2,1-2H3;3-5,7-8,10-12,14,19,21H,6,9H2,1-2H3/b;15-12-;;.
What are the key properties of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate has a molecular weight of 1267.50 g/mol, XLogP of 13.31, 23 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate;ethyl (Z)-3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 158809925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).