(5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C161H166F25N31O10 — CID 158873341

IUPAC(5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCCCN1CCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCOC2.O=C(c1n[nH]c2c1CN(C1CCC1)C2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2ccc(F)cn12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1CCOC2)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H25F3N4O.C22H27F3N4O.3C20H19F3N4O.C20H22F3N3O2.C19H16F4N4O.C18H19F3N4O2/c23-22(24,25)18-7-2-1-6-16(18)14-8-10-28(11-9-14)21(30)20-17-12-29(15-4-3-5-15)13-19(17)26-27-20;1-2-10-28-11-9-19-17(14-28)20(27-26-19)21(30)29-12-7-15(8-13-29)16-5-3-4-6-18(16)22(23,24)25;3*1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23;1-25-17-8-11-28-12-15(17)18(24-25)19(27)26-9-6-13(7-10-26)14-4-2-3-5-16(14)20(21,22)23;20-13-5-6-16-24-25-17(27(16)11-13)18(28)26-9-7-12(8-10-26)14-3-1-2-4-15(14)19(21,22)23;19-18(20,21)14-4-2-1-3-13(14)12-5-7-24(8-6-12)17(26)16-23-22-15-11-27-10-9-25(15)16/h1-2,6-7,14-15H,3-5,8-13H2,(H,26,27);3-6,15H,2,7-14H2,1H3,(H,26,27);3*2-7,12,14H,8-11H2,1H3;2-5,13H,6-12H2,1H3;1-6,11-12H,7-10H2;1-4,12H,5-11H2
InChIKeyJCCTWLZCRZXMGV-UHFFFAOYSA-N
MW3170.26 g/mol
LogP31.05
Rot. Bonds19

About (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 158873341) has the molecular formula C161H166F25N31O10 and a molecular weight of 3170.26 g/mol. Its IUPAC name is (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID158873341
Molecular FormulaC161H166F25N31O10
Molecular Weight3170.26 g/mol
Exact Mass3168.30
IUPAC Name(5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCCCN1CCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCOC2.O=C(c1n[nH]c2c1CN(C1CCC1)C2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2ccc(F)cn12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1CCOC2)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H25F3N4O.C22H27F3N4O.3C20H19F3N4O.C20H22F3N3O2.C19H16F4N4O.C18H19F3N4O2/c23-22(24,25)18-7-2-1-6-16(18)14-8-10-28(11-9-14)21(30)20-17-12-29(15-4-3-5-15)13-19(17)26-27-20;1-2-10-28-11-9-19-17(14-28)20(27-26-19)21(30)29-12-7-15(8-13-29)16-5-3-4-6-18(16)22(23,24)25;3*1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23;1-25-17-8-11-28-12-15(17)18(24-25)19(27)26-9-6-13(7-10-26)14-4-2-3-5-16(14)20(21,22)23;20-13-5-6-16-24-25-17(27(16)11-13)18(28)26-9-7-12(8-10-26)14-3-1-2-4-15(14)19(21,22)23;19-18(20,21)14-4-2-1-3-13(14)12-5-7-24(8-6-12)17(26)16-23-22-15-11-27-10-9-25(15)16/h1-2,6-7,14-15H,3-5,8-13H2,(H,26,27);3-6,15H,2,7-14H2,1H3,(H,26,27);3*2-7,12,14H,8-11H2,1H3;2-5,13H,6-12H2,1H3;1-6,11-12H,7-10H2;1-4,12H,5-11H2
InChIKeyJCCTWLZCRZXMGV-UHFFFAOYSA-N
XLogP31.05
TPSA414.07 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003170.26
LogP ≤ 531.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone 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

4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 159622332
2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone
CID 159904890
Bis(1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone);[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 160827632
N-[6-(azepan-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]benzamide;N-[6-(azepan-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide;6-(azepan-1-yl)-1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethoxymethyl)pyrazolo[3,4-b]pyridine;ethyl (2R)-1-[3-(2-piperidin-4-ylacetyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidine-2-carboxylate;pentakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
CID 161291608
(5-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 162003219
[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone
CID 167577923
[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 167659374
[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;[(2S)-2-[2-(5-ethylpyrimidin-2-yl)ethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-[(2S)-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-1-yl]methanone
CID 167685028
3-[[[2-[(S)-(4,4-difluorocyclohexyl)-[[3-[[[2-[(S)-(4,4-difluorocyclohexyl)-[(2-ethylpyrazole-3-carbonyl)amino]methyl]-6-[(5,5-difluoro-2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-7-yl]-methylamino]methyl]-1-ethylpyrazole-5-carbonyl]amino]methyl]-6-[[(5R)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]-methylamino]methyl]-N-[(S)-(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[[(5R)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1-ethylpyrazole-5-carboxamide
CID 170397246
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate
CID 161746765
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 162231069

Frequently Asked Questions

What is the IUPAC name of (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 158873341) is (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is CCCN1CCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCOC2.O=C(c1n[nH]c2c1CN(C1CCC1)C2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2ccc(F)cn12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1CCOC2)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is JCCTWLZCRZXMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O.C22H27F3N4O.3C20H19F3N4O.C20H22F3N3O2.C19H16F4N4O.C18H19F3N4O2/c23-22(24,25)18-7-2-1-6-16(18)14-8-10-28(11-9-14)21(30)20-17-12-29(15-4-3-5-15)13-19(17)26-27-20;1-2-10-28-11-9-19-17(14-28)20(27-26-19)21(30)29-12-7-15(8-13-29)16-5-3-4-6-18(16)22(23,24)25;3*1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23;1-25-17-8-11-28-12-15(17)18(24-25)19(27)26-9-6-13(7-10-26)14-4-2-3-5-16(14)20(21,22)23;20-13-5-6-16-24-25-17(27(16)11-13)18(28)26-9-7-12(8-10-26)14-3-1-2-4-15(14)19(21,22)23;19-18(20,21)14-4-2-1-3-13(14)12-5-7-24(8-6-12)17(26)16-23-22-15-11-27-10-9-25(15)16/h1-2,6-7,14-15H,3-5,8-13H2,(H,26,27);3-6,15H,2,7-14H2,1H3,(H,26,27);3*2-7,12,14H,8-11H2,1H3;2-5,13H,6-12H2,1H3;1-6,11-12H,7-10H2;1-4,12H,5-11H2.
What are the key properties of (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 3170.26 g/mol, XLogP of 31.05, 19 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 158873341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).