1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide

C124H136F18N20O21 — CID 159854451

IUPAC1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(=O)N(c1cnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1ncccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1nnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1cnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1ncccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1nnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1
InChIInChI=1S/2C21H22F3N3O4.2C21H24F3N3O3.C20H21F3N4O4.C20H23F3N4O3/c1-14(29)27(19-10-25-8-6-18(19)21(22,23)24)16-7-9-26(11-16)20(30)13-31-17-4-2-15(12-28)3-5-17;1-14(29)27(20-18(21(22,23)24)3-2-9-25-20)16-8-10-26(11-16)19(30)13-31-17-6-4-15(12-28)5-7-17;1-2-27(19-11-25-9-7-18(19)21(22,23)24)16-8-10-26(12-16)20(29)14-30-17-5-3-15(13-28)4-6-17;1-2-27(20-18(21(22,23)24)4-3-10-25-20)16-9-11-26(12-16)19(29)14-30-17-7-5-15(13-28)6-8-17;1-13(29)27(19-17(20(21,22)23)6-8-24-25-19)15-7-9-26(10-15)18(30)12-31-16-4-2-14(11-28)3-5-16;1-2-27(19-17(20(21,22)23)7-9-24-25-19)15-8-10-26(11-15)18(29)13-30-16-5-3-14(12-28)4-6-16/h2-6,8,10,16,28H,7,9,11-13H2,1H3;2-7,9,16,28H,8,10-13H2,1H3;3-7,9,11,16,28H,2,8,10,12-14H2,1H3;3-8,10,16,28H,2,9,11-14H2,1H3;2-6,8,15,28H,7,9-12H2,1H3;3-7,9,15,28H,2,8,10-13H2,1H3
InChIKeyNQIQBWOTIOUJCU-UHFFFAOYSA-N
MW2584.53 g/mol
LogP15.96
Rot. Bonds39

About 1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide

1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 159854451) has the molecular formula C124H136F18N20O21 and a molecular weight of 2584.53 g/mol. Its IUPAC name is 1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID159854451
Molecular FormulaC124H136F18N20O21
Molecular Weight2584.53 g/mol
Exact Mass2582.99
IUPAC Name1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(=O)N(c1cnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1ncccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1nnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1cnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1ncccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1nnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1
InChIInChI=1S/2C21H22F3N3O4.2C21H24F3N3O3.C20H21F3N4O4.C20H23F3N4O3/c1-14(29)27(19-10-25-8-6-18(19)21(22,23)24)16-7-9-26(11-16)20(30)13-31-17-4-2-15(12-28)3-5-17;1-14(29)27(20-18(21(22,23)24)3-2-9-25-20)16-8-10-26(11-16)19(30)13-31-17-6-4-15(12-28)5-7-17;1-2-27(19-11-25-9-7-18(19)21(22,23)24)16-8-10-26(12-16)20(29)14-30-17-5-3-15(13-28)4-6-17;1-2-27(20-18(21(22,23)24)4-3-10-25-20)16-9-11-26(12-16)19(29)14-30-17-7-5-15(13-28)6-8-17;1-13(29)27(19-17(20(21,22)23)6-8-24-25-19)15-7-9-26(10-15)18(30)12-31-16-4-2-14(11-28)3-5-16;1-2-27(19-17(20(21,22)23)7-9-24-25-19)15-8-10-26(11-15)18(29)13-30-16-5-3-14(12-28)4-6-16/h2-6,8,10,16,28H,7,9,11-13H2,1H3;2-7,9,16,28H,8,10-13H2,1H3;3-7,9,11,16,28H,2,8,10,12-14H2,1H3;3-8,10,16,28H,2,9,11-14H2,1H3;2-6,8,15,28H,7,9-12H2,1H3;3-7,9,15,28H,2,8,10-13H2,1H3
InChIKeyNQIQBWOTIOUJCU-UHFFFAOYSA-N
XLogP15.96
TPSA472.39 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds39
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002584.53
LogP ≤ 515.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(Hydroxymethyl)phenoxy]-1-[3-[methyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[methyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[4-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 157281704
5-(6-Ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride
CID 157530827
5-[4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-morpholin-4-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-phenylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 157812196
5-(6-Ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride
CID 158258280
4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethyl)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 158530460
1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone
CID 159533129
4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 160823194
2-[4-(hydroxymethyl)phenoxy]-1-[(3R)-3-[N-methyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[(3S)-3-[N-methyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[(3R)-3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[(3S)-3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[(3R)-3-[methyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[(3S)-3-[methyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]ethanone
CID 161734408
N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162207617
4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 158270470
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea
CID 158410754
1-[(3-Fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea
CID 159037303

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide (CID 159854451) is 1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide is CC(=O)N(c1cnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1ncccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1nnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1cnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1ncccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1nnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.
What is the InChIKey of 1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is NQIQBWOTIOUJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22F3N3O4.2C21H24F3N3O3.C20H21F3N4O4.C20H23F3N4O3/c1-14(29)27(19-10-25-8-6-18(19)21(22,23)24)16-7-9-26(11-16)20(30)13-31-17-4-2-15(12-28)3-5-17;1-14(29)27(20-18(21(22,23)24)3-2-9-25-20)16-8-10-26(11-16)19(30)13-31-17-6-4-15(12-28)5-7-17;1-2-27(19-11-25-9-7-18(19)21(22,23)24)16-8-10-26(12-16)20(29)14-30-17-5-3-15(13-28)4-6-17;1-2-27(20-18(21(22,23)24)4-3-10-25-20)16-9-11-26(12-16)19(29)14-30-17-7-5-15(13-28)6-8-17;1-13(29)27(19-17(20(21,22)23)6-8-24-25-19)15-7-9-26(10-15)18(30)12-31-16-4-2-14(11-28)3-5-16;1-2-27(19-17(20(21,22)23)7-9-24-25-19)15-8-10-26(11-15)18(29)13-30-16-5-3-14(12-28)4-6-16/h2-6,8,10,16,28H,7,9,11-13H2,1H3;2-7,9,16,28H,8,10-13H2,1H3;3-7,9,11,16,28H,2,8,10,12-14H2,1H3;3-8,10,16,28H,2,9,11-14H2,1H3;2-6,8,15,28H,7,9-12H2,1H3;3-7,9,15,28H,2,8,10-13H2,1H3.
What are the key properties of 1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 2584.53 g/mol, XLogP of 15.96, 39 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 159854451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).