ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione

C67H56F12N16O11 — CID 161006452

IUPACethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione
SMILESCC(=O)c1cccnc1.CCOC(=O)C(F)(F)F.NNc1ccc(C(=O)O)cn1.Nc1ccncc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(Nc1ccncc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(O)c1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)nc1
InChIInChI=1S/C20H13F3N6O.C15H11F3N4O3.C10H7F3O2.C7H7NO.C6H7N3O2.C5H6N2.C4H5F3O2/c21-20(22,23)17-10-16(13-2-1-7-25-11-13)28-29(17)18-4-3-14(12-26-18)19(30)27-15-5-8-24-9-6-15;16-15(17,18)14(25)6-11(9-2-1-5-19-7-9)21-22(14)12-4-3-10(8-20-12)13(23)24;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-6(9)7-3-2-4-8-5-7;7-9-5-2-1-4(3-8-5)6(10)11;6-5-1-3-7-4-2-5;1-2-9-3(8)4(5,6)7/h1-12H,(H,24,27,30);1-5,7-8,25H,6H2,(H,23,24);1-5H,6H2;2-5H,1H3;1-3H,7H2,(H,8,9)(H,10,11);1-4H,(H2,6,7);2H2,1H3
InChIKeyTWOIPVMDNDCWNN-UHFFFAOYSA-N
MW1489.26 g/mol
LogP11.55
Rot. Bonds14

About ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione

ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione (PubChem CID 161006452) has the molecular formula C67H56F12N16O11 and a molecular weight of 1489.26 g/mol. Its IUPAC name is ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione.

Molecular Properties

Compound Nameethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione
PubChem CID161006452
Molecular FormulaC67H56F12N16O11
Molecular Weight1489.26 g/mol
Exact Mass1488.41
IUPAC Nameethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione
SMILESCC(=O)c1cccnc1.CCOC(=O)C(F)(F)F.NNc1ccc(C(=O)O)cn1.Nc1ccncc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(Nc1ccncc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(O)c1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)nc1
InChIInChI=1S/C20H13F3N6O.C15H11F3N4O3.C10H7F3O2.C7H7NO.C6H7N3O2.C5H6N2.C4H5F3O2/c21-20(22,23)17-10-16(13-2-1-7-25-11-13)28-29(17)18-4-3-14(12-26-18)19(30)27-15-5-8-24-9-6-15;16-15(17,18)14(25)6-11(9-2-1-5-19-7-9)21-22(14)12-4-3-10(8-20-12)13(23)24;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-6(9)7-3-2-4-8-5-7;7-9-5-2-1-4(3-8-5)6(10)11;6-5-1-3-7-4-2-5;1-2-9-3(8)4(5,6)7/h1-12H,(H,24,27,30);1-5,7-8,25H,6H2,(H,23,24);1-5H,6H2;2-5H,1H3;1-3H,7H2,(H,8,9)(H,10,11);1-4H,(H2,6,7);2H2,1H3
InChIKeyTWOIPVMDNDCWNN-UHFFFAOYSA-N
XLogP11.55
TPSA402.05 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001489.26
LogP ≤ 511.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione with MolForge

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

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Related Compounds

sodium;(6-chloro-3-pyridinyl)hydrazine;2-(6-chloro-3-pyridinyl)-3-methyl-5-pyridin-3-yl-4H-pyrazol-3-ol;cyclohexylmethanamine;N-(cyclohexylmethyl)-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;ethyl acetate;methanolate;1-pyridin-3-ylethanone;(Z)-4,4,4-trifluoro-1-pyridin-3-ylbut-1-ene-1,3,3-triol
CID 157387049
1-N-methyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;methyl 3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate;3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoic acid
CID 158144490
hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid
CID 158152900
(2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 159555797
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159561965
4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
CID 160571192
(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 160979000
acetic acid;cyclohexanecarbonyl chloride;ethyl 2,2,2-trifluoroacetate;methane;(5-nitro-2-pyridinyl)hydrazine;2-(5-nitro-2-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol;5-nitro-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine;1-pyridin-3-ylethanone;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]cyclohexanecarboxamide;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione
CID 161231344
3,3-diphenylpropan-1-amine;N-(3,3-diphenylpropyl)-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid
CID 161374180
(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 161656930
3-cyano-5-fluoro-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;ethyl 2,2,2-trifluoroacetate;6-fluoropyridin-3-amine;(6-fluoro-3-pyridinyl)hydrazine;2-(6-fluoro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol;1-pyridin-3-ylethanone;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione
CID 161849172
3-[[1-[2-(4,4-Difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]amino]pyridine-4-carboxylic acid;1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone;3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]methyl]pyridine-4-carboxylic acid
CID 161922341

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione?
The IUPAC name of ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione (CID 161006452) is ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione.
What is the SMILES notation for ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione?
The canonical SMILES for ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione is CC(=O)c1cccnc1.CCOC(=O)C(F)(F)F.NNc1ccc(C(=O)O)cn1.Nc1ccncc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(Nc1ccncc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(O)c1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)nc1.
What is the InChIKey of ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione?
The InChIKey is TWOIPVMDNDCWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O.C15H11F3N4O3.C10H7F3O2.C7H7NO.C6H7N3O2.C5H6N2.C4H5F3O2/c21-20(22,23)17-10-16(13-2-1-7-25-11-13)28-29(17)18-4-3-14(12-26-18)19(30)27-15-5-8-24-9-6-15;16-15(17,18)14(25)6-11(9-2-1-5-19-7-9)21-22(14)12-4-3-10(8-20-12)13(23)24;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-6(9)7-3-2-4-8-5-7;7-9-5-2-1-4(3-8-5)6(10)11;6-5-1-3-7-4-2-5;1-2-9-3(8)4(5,6)7/h1-12H,(H,24,27,30);1-5,7-8,25H,6H2,(H,23,24);1-5H,6H2;2-5H,1H3;1-3H,7H2,(H,8,9)(H,10,11);1-4H,(H2,6,7);2H2,1H3.
What are the key properties of ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione?
ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione has a molecular weight of 1489.26 g/mol, XLogP of 11.55, 14 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,2-trifluoroacetate;6-hydrazinylpyridine-3-carboxylic acid;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid;pyridin-4-amine;1-pyridin-3-ylethanone;N-pyridin-4-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4,4,4-trifluoro-1-phenylbutane-1,3-dione is sourced from PubChem (CID 161006452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).