2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate

C121H140BrF24N23O12 — CID 158398079

IUPAC2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
SMILESCC(C)(C)OC(=O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.CCOC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.FC(F)(F)c1cccnc1Br.O=C(C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1.O=C(O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.O=C(O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1
InChIInChI=1S/C29H37F5N6O2.C29H38F5N5O3.C25H30F5N5O3.C17H18F3N3O2.C15H14F3N3O2.C6H3BrF3N/c30-28(31)12-5-14-39(18-28)15-11-20(16-25(41)36-19-6-3-7-19)37-27(42)23-17-24(40(38-23)21-8-1-2-9-21)26-22(29(32,33)34)10-4-13-35-26;1-27(2,3)42-24(40)16-19(11-15-38-14-7-12-28(30,31)18-38)36-26(41)22-17-23(39(37-22)20-8-4-5-9-20)25-21(29(32,33)34)10-6-13-35-25;26-24(27)9-4-11-34(15-24)12-8-16(13-21(36)37)32-23(38)19-14-20(35(33-19)17-5-1-2-6-17)22-18(25(28,29)30)7-3-10-31-22;1-2-25-16(24)13-10-14(23(22-13)11-6-3-4-7-11)15-12(17(18,19)20)8-5-9-21-15;16-15(17,18)10-6-3-7-19-13(10)12-8-11(14(22)23)20-21(12)9-4-1-2-5-9;7-5-4(6(8,9)10)2-1-3-11-5/h4,10,13,17,19-21H,1-3,5-9,11-12,14-16,18H2,(H,36,41)(H,37,42);6,10,13,17,19-20H,4-5,7-9,11-12,14-16,18H2,1-3H3,(H,36,41);3,7,10,14,16-17H,1-2,4-6,8-9,11-13,15H2,(H,32,38)(H,36,37);5,8-11H,2-4,6-7H2,1H3;3,6-9H,1-2,4-5H2,(H,22,23);1-3H/t20-;19-;16-;;;/m000.../s1
InChIKeyGXTKDUKOQFEEGO-MLSFWRLZSA-N
MW2644.46 g/mol
LogP27.06
Rot. Bonds35

About 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate

2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate (PubChem CID 158398079) has the molecular formula C121H140BrF24N23O12 and a molecular weight of 2644.46 g/mol. Its IUPAC name is 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Name2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
PubChem CID158398079
Molecular FormulaC121H140BrF24N23O12
Molecular Weight2644.46 g/mol
Exact Mass2641.99
IUPAC Name2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
SMILESCC(C)(C)OC(=O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.CCOC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.FC(F)(F)c1cccnc1Br.O=C(C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1.O=C(O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.O=C(O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1
InChIInChI=1S/C29H37F5N6O2.C29H38F5N5O3.C25H30F5N5O3.C17H18F3N3O2.C15H14F3N3O2.C6H3BrF3N/c30-28(31)12-5-14-39(18-28)15-11-20(16-25(41)36-19-6-3-7-19)37-27(42)23-17-24(40(38-23)21-8-1-2-9-21)26-22(29(32,33)34)10-4-13-35-26;1-27(2,3)42-24(40)16-19(11-15-38-14-7-12-28(30,31)18-38)36-26(41)22-17-23(39(37-22)20-8-4-5-9-20)25-21(29(32,33)34)10-6-13-35-25;26-24(27)9-4-11-34(15-24)12-8-16(13-21(36)37)32-23(38)19-14-20(35(33-19)17-5-1-2-6-17)22-18(25(28,29)30)7-3-10-31-22;1-2-25-16(24)13-10-14(23(22-13)11-6-3-4-7-11)15-12(17(18,19)20)8-5-9-21-15;16-15(17,18)10-6-3-7-19-13(10)12-8-11(14(22)23)20-21(12)9-4-1-2-5-9;7-5-4(6(8,9)10)2-1-3-11-5/h4,10,13,17,19-21H,1-3,5-9,11-12,14-16,18H2,(H,36,41)(H,37,42);6,10,13,17,19-20H,4-5,7-9,11-12,14-16,18H2,1-3H3,(H,36,41);3,7,10,14,16-17H,1-2,4-6,8-9,11-13,15H2,(H,32,38)(H,36,37);5,8-11H,2-4,6-7H2,1H3;3,6-9H,1-2,4-5H2,(H,22,23);1-3H/t20-;19-;16-;;;/m000.../s1
InChIKeyGXTKDUKOQFEEGO-MLSFWRLZSA-N
XLogP27.06
TPSA419.76 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds35
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002644.46
LogP ≤ 527.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate with MolForge

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Related Compounds

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]indolizine-7-carboxamide;6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide
CID 159040177
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 159043135
6-(5-carbamoyl-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;5-[6-[[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxylic acid;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 160048613
2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
CID 160660418
2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;2-[7-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;ethyl 3-[4-fluoro-3-[2-oxo-2-[4-(5-phenyl-1H-pyrazol-4-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylate;1-(5-phenyl-1H-pyrazol-4-yl)piperazine
CID 159873554
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
CID 160759523
6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane
CID 165006870
6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate
CID 167712041

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
The IUPAC name of 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate (CID 158398079) is 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate.
What is the SMILES notation for 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
The canonical SMILES for 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate is CC(C)(C)OC(=O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.CCOC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.FC(F)(F)c1cccnc1Br.O=C(C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1.O=C(O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.O=C(O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.
What is the InChIKey of 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
The InChIKey is GXTKDUKOQFEEGO-MLSFWRLZSA-N. The full InChI is InChI=1S/C29H37F5N6O2.C29H38F5N5O3.C25H30F5N5O3.C17H18F3N3O2.C15H14F3N3O2.C6H3BrF3N/c30-28(31)12-5-14-39(18-28)15-11-20(16-25(41)36-19-6-3-7-19)37-27(42)23-17-24(40(38-23)21-8-1-2-9-21)26-22(29(32,33)34)10-4-13-35-26;1-27(2,3)42-24(40)16-19(11-15-38-14-7-12-28(30,31)18-38)36-26(41)22-17-23(39(37-22)20-8-4-5-9-20)25-21(29(32,33)34)10-6-13-35-25;26-24(27)9-4-11-34(15-24)12-8-16(13-21(36)37)32-23(38)19-14-20(35(33-19)17-5-1-2-6-17)22-18(25(28,29)30)7-3-10-31-22;1-2-25-16(24)13-10-14(23(22-13)11-6-3-4-7-11)15-12(17(18,19)20)8-5-9-21-15;16-15(17,18)10-6-3-7-19-13(10)12-8-11(14(22)23)20-21(12)9-4-1-2-5-9;7-5-4(6(8,9)10)2-1-3-11-5/h4,10,13,17,19-21H,1-3,5-9,11-12,14-16,18H2,(H,36,41)(H,37,42);6,10,13,17,19-20H,4-5,7-9,11-12,14-16,18H2,1-3H3,(H,36,41);3,7,10,14,16-17H,1-2,4-6,8-9,11-13,15H2,(H,32,38)(H,36,37);5,8-11H,2-4,6-7H2,1H3;3,6-9H,1-2,4-5H2,(H,22,23);1-3H/t20-;19-;16-;;;/m000.../s1.
What are the key properties of 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate has a molecular weight of 2644.46 g/mol, XLogP of 27.06, 35 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate is sourced from PubChem (CID 158398079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).