2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide

C147H162FN19O20 — CID 158118607

IUPAC2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide
SMILESCCOC1=NCc2cc(CC(=O)C[C@H](CO)c3ccccc3)ncc21.CCOC1=NCc2cc(CC(=O)N[C@H](COC)c3ccc(F)cc3)ncc21.CCOC1=NCc2cc(CC(=O)N[C@H](COC)c3ccccc3)ncc21.COC1=NCc2cc(CC(=O)C[C@H](CO)c3ccccc3)nc(C)c21.COC1=NCc2cc(CC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc21.COC[C@@H](CC(=O)Cc1cc2c(c(C)n1)C(OC)=NC2)c1ccccc1.COC[C@@H](NC(=O)Cc1cc2c(cn1)C(OCc1ccccc1)=NC2)c1ccccc1
InChIInChI=1S/C25H25N3O3.C21H24N4O2.C21H24N2O3.C20H22FN3O3.C20H23N3O3.2C20H22N2O3/c1-30-17-23(19-10-6-3-7-11-19)28-24(29)13-21-12-20-14-27-25(22(20)15-26-21)31-16-18-8-4-2-5-9-18;1-25-12-18(14-6-4-3-5-7-14)19(13-25)24-20(26)9-16-8-15-10-23-21(27-2)17(15)11-22-16;1-14-20-16(12-22-21(20)26-3)9-18(23-14)11-19(24)10-17(13-25-2)15-7-5-4-6-8-15;1-3-27-20-17-11-22-16(8-14(17)10-23-20)9-19(25)24-18(12-26-2)13-4-6-15(21)7-5-13;1-3-26-20-17-12-21-16(9-15(17)11-22-20)10-19(24)23-18(13-25-2)14-7-5-4-6-8-14;1-13-19-15(11-21-20(19)25-2)8-17(22-13)10-18(24)9-16(12-23)14-6-4-3-5-7-14;1-2-25-20-19-12-21-17(8-15(19)11-22-20)10-18(24)9-16(13-23)14-6-4-3-5-7-14/h2-12,15,23H,13-14,16-17H2,1H3,(H,28,29);3-8,11,18-19H,9-10,12-13H2,1-2H3,(H,24,26);4-9,17H,10-13H2,1-3H3;4-8,11,18H,3,9-10,12H2,1-2H3,(H,24,25);4-9,12,18H,3,10-11,13H2,1-2H3,(H,23,24);3-8,16,23H,9-12H2,1-2H3;3-8,12,16,23H,2,9-11,13H2,1H3/t23-;18-,19+;17-;2*18-;2*16-/m1011111/s1
InChIKeyFRIGDHMGBAGIDR-WMFXNKOASA-N
MW2534.02 g/mol
LogP18.80
Rot. Bonds46

About 2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide

2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide (PubChem CID 158118607) has the molecular formula C147H162FN19O20 and a molecular weight of 2534.02 g/mol. Its IUPAC name is 2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide
PubChem CID158118607
Molecular FormulaC147H162FN19O20
Molecular Weight2534.02 g/mol
Exact Mass2532.22
IUPAC Name2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide
SMILESCCOC1=NCc2cc(CC(=O)C[C@H](CO)c3ccccc3)ncc21.CCOC1=NCc2cc(CC(=O)N[C@H](COC)c3ccc(F)cc3)ncc21.CCOC1=NCc2cc(CC(=O)N[C@H](COC)c3ccccc3)ncc21.COC1=NCc2cc(CC(=O)C[C@H](CO)c3ccccc3)nc(C)c21.COC1=NCc2cc(CC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc21.COC[C@@H](CC(=O)Cc1cc2c(c(C)n1)C(OC)=NC2)c1ccccc1.COC[C@@H](NC(=O)Cc1cc2c(cn1)C(OCc1ccccc1)=NC2)c1ccccc1
InChIInChI=1S/C25H25N3O3.C21H24N4O2.C21H24N2O3.C20H22FN3O3.C20H23N3O3.2C20H22N2O3/c1-30-17-23(19-10-6-3-7-11-19)28-24(29)13-21-12-20-14-27-25(22(20)15-26-21)31-16-18-8-4-2-5-9-18;1-25-12-18(14-6-4-3-5-7-14)19(13-25)24-20(26)9-16-8-15-10-23-21(27-2)17(15)11-22-16;1-14-20-16(12-22-21(20)26-3)9-18(23-14)11-19(24)10-17(13-25-2)15-7-5-4-6-8-15;1-3-27-20-17-11-22-16(8-14(17)10-23-20)9-19(25)24-18(12-26-2)13-4-6-15(21)7-5-13;1-3-26-20-17-12-21-16(9-15(17)11-22-20)10-19(24)23-18(13-25-2)14-7-5-4-6-8-14;1-13-19-15(11-21-20(19)25-2)8-17(22-13)10-18(24)9-16(12-23)14-6-4-3-5-7-14;1-2-25-20-19-12-21-17(8-15(19)11-22-20)10-18(24)9-16(13-23)14-6-4-3-5-7-14/h2-12,15,23H,13-14,16-17H2,1H3,(H,28,29);3-8,11,18-19H,9-10,12-13H2,1-2H3,(H,24,26);4-9,17H,10-13H2,1-3H3;4-8,11,18H,3,9-10,12H2,1-2H3,(H,24,25);4-9,12,18H,3,10-11,13H2,1-2H3,(H,23,24);3-8,16,23H,9-12H2,1-2H3;3-8,12,16,23H,2,9-11,13H2,1H3/t23-;18-,19+;17-;2*18-;2*16-/m1011111/s1
InChIKeyFRIGDHMGBAGIDR-WMFXNKOASA-N
XLogP18.80
TPSA489.59 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds46
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002534.02
LogP ≤ 518.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 157298994
(2S)-2-[5-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]pentanamide;(2S)-2-[3-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[[2-[5-[3-(dimethylamino)propyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-3-(pyrrolidin-1-ylmethyl)-1-pyridinyl]pentanamide
CID 157305434
[3-[(3S)-3,4-dimethylpentanoyl]pyridin-1-ium-1-yl]methyl N-[(2S)-1-phenylpropan-2-yl]carbamate;[3-[(3S)-4-hydroxy-3-methylbutanoyl]pyridin-1-ium-1-yl]methyl N-[(2S)-1-phenylpropan-2-yl]carbamate;[3-(3-methylbutanoyl)pyridin-1-ium-1-yl]methyl N-[(2S)-1-phenylpropan-2-yl]carbamate;[(2R)-2-[[1-[[(3S)-3-methyl-4-phenylbutanoyl]oxymethyl]pyridin-1-ium-3-carbonyl]amino]propyl] 1-[[(2S)-1-phenylpropan-2-yl]carbamoyloxymethyl]pyridin-1-ium-3-carboxylate;(3-methylpyridin-1-ium-1-yl)methyl N-[(2S)-1-phenylpropan-2-yl]carbamate
CID 158076745
N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide
CID 158202205
(4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide
CID 158743877
(4S)-1-[3-amino-4-(hydroxymethyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-1-[3-amino-4-(methoxymethyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-1-[3-(azetidin-1-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-(4-methylphenyl)hexan-2-one;(4S)-1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-4-(4-fluorophenyl)-5-methoxy-2-oxopentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;(4S)-5-hydroxy-1-[4-(hydroxymethyl)-3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methyl-4-phenylhexan-2-one
CID 159393055
N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 159510176
N,1-dimethyl-4-phenylpiperidine-4-carboxamide;methyl 1-methyl-4-phenylpiperidine-4-carboxylate;1-methyl-4-phenylpiperidine-4-carboxamide;1-methyl-4-phenylpiperidin-4-ol;N-(1-methyl-4-phenylpiperidin-4-yl)acetamide;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone;(1-methyl-4-phenylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methyl-4-phenylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;1-methyl-4-pyridin-2-ylpiperidine-4-carboxamide;1-methyl-4-pyridin-3-ylpiperidine-4-carboxamide;1-methyl-4-pyridin-4-ylpiperidine-4-carboxamide;N,N,1-trimethyl-4-phenylpiperidine-4-carboxamide
CID 159617677
2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide;(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-[3-(3-methylmorpholin-4-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-4-phenyl-1-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one;N-[(1R)-1-phenylethyl]-2-(3-pyrrolidin-1-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide
CID 159955218
(4S)-1-(3-ethoxy-7-fluoro-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylhexan-2-one;N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;(4S)-1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 160298623
2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide;(4S)-1-[3-(2-hydroxyethoxy)-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;2-[4-(hydroxymethyl)-3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-2-hydroxy-2-methyl-1-(4-methylphenyl)propyl]acetamide;2-[4-(hydroxymethyl)-3-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide;2-[4-(hydroxymethyl)-3-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[4-methyl-3-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;(4S)-1-[4-methyl-3-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 160339074
3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;bis(3-methyl-1-piperazin-1-ylbutan-1-one);2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 160444774

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide (CID 158118607) is 2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide is CCOC1=NCc2cc(CC(=O)C[C@H](CO)c3ccccc3)ncc21.CCOC1=NCc2cc(CC(=O)N[C@H](COC)c3ccc(F)cc3)ncc21.CCOC1=NCc2cc(CC(=O)N[C@H](COC)c3ccccc3)ncc21.COC1=NCc2cc(CC(=O)C[C@H](CO)c3ccccc3)nc(C)c21.COC1=NCc2cc(CC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc21.COC[C@@H](CC(=O)Cc1cc2c(c(C)n1)C(OC)=NC2)c1ccccc1.COC[C@@H](NC(=O)Cc1cc2c(cn1)C(OCc1ccccc1)=NC2)c1ccccc1.
What is the InChIKey of 2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide?
The InChIKey is FRIGDHMGBAGIDR-WMFXNKOASA-N. The full InChI is InChI=1S/C25H25N3O3.C21H24N4O2.C21H24N2O3.C20H22FN3O3.C20H23N3O3.2C20H22N2O3/c1-30-17-23(19-10-6-3-7-11-19)28-24(29)13-21-12-20-14-27-25(22(20)15-26-21)31-16-18-8-4-2-5-9-18;1-25-12-18(14-6-4-3-5-7-14)19(13-25)24-20(26)9-16-8-15-10-23-21(27-2)17(15)11-22-16;1-14-20-16(12-22-21(20)26-3)9-18(23-14)11-19(24)10-17(13-25-2)15-7-5-4-6-8-15;1-3-27-20-17-11-22-16(8-14(17)10-23-20)9-19(25)24-18(12-26-2)13-4-6-15(21)7-5-13;1-3-26-20-17-12-21-16(9-15(17)11-22-20)10-19(24)23-18(13-25-2)14-7-5-4-6-8-14;1-13-19-15(11-21-20(19)25-2)8-17(22-13)10-18(24)9-16(12-23)14-6-4-3-5-7-14;1-2-25-20-19-12-21-17(8-15(19)11-22-20)10-18(24)9-16(13-23)14-6-4-3-5-7-14/h2-12,15,23H,13-14,16-17H2,1H3,(H,28,29);3-8,11,18-19H,9-10,12-13H2,1-2H3,(H,24,26);4-9,17H,10-13H2,1-3H3;4-8,11,18H,3,9-10,12H2,1-2H3,(H,24,25);4-9,12,18H,3,10-11,13H2,1-2H3,(H,23,24);3-8,16,23H,9-12H2,1-2H3;3-8,12,16,23H,2,9-11,13H2,1H3/t23-;18-,19+;17-;2*18-;2*16-/m1011111/s1.
What are the key properties of 2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide?
2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide has a molecular weight of 2534.02 g/mol, XLogP of 18.80, 46 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 158118607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).