(2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide

C114H134Cl4F6N40O6 — CID 160864651

IUPAC(2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide
SMILESCC1CCN(C(=O)N[C@@H]2CCCC(Nc3nc(-c4nn(C)c5ncc(Cl)cc45)ncc3F)C2)C1.Cn1cncc1C(=O)N[C@@H]1CCCC(Cc2nc(-c3nn(C)c4ncc(F)cc34)ncc2F)C1.Cn1nc(-c2ncc(F)c(NC3CCC[C@@H](NC(=O)N4CCCC4)C3)n2)c2cc(Cl)cnc21.Cn1nc(-c2ncc(F)c(NC3CCC[C@@H](NC(=O)N4CCCCC4)C3)n2)c2cc(Cl)cnc21.Cn1nc(-c2ncc(F)c(NC3CCC[C@@H](NC(=O)N4CCC[C@H]4CO)C3)n2)c2cc(Cl)cnc21
InChIInChI=1S/C23H28ClFN8O2.2C23H28ClFN8O.C23H24F2N8O.C22H26ClFN8O/c1-32-22-17(8-13(24)10-27-22)19(31-32)21-26-11-18(25)20(30-21)28-14-4-2-5-15(9-14)29-23(35)33-7-3-6-16(33)12-34;1-13-6-7-33(12-13)23(34)29-16-5-3-4-15(9-16)28-20-18(25)11-26-21(30-20)19-17-8-14(24)10-27-22(17)32(2)31-19;1-32-22-17(10-14(24)12-27-22)19(31-32)21-26-13-18(25)20(30-21)28-15-6-5-7-16(11-15)29-23(34)33-8-3-2-4-9-33;1-32-12-26-11-19(32)23(34)29-15-5-3-4-13(6-15)7-18-17(25)10-27-21(30-18)20-16-8-14(24)9-28-22(16)33(2)31-20;1-31-21-16(9-13(23)11-26-21)18(30-31)20-25-12-17(24)19(29-20)27-14-5-4-6-15(10-14)28-22(33)32-7-2-3-8-32/h8,10-11,14-16,34H,2-7,9,12H2,1H3,(H,29,35)(H,26,28,30);8,10-11,13,15-16H,3-7,9,12H2,1-2H3,(H,29,34)(H,26,28,30);10,12-13,15-16H,2-9,11H2,1H3,(H,29,34)(H,26,28,30);8-13,15H,3-7H2,1-2H3,(H,29,34);9,11-12,14-15H,2-8,10H2,1H3,(H,28,33)(H,25,27,29)/t14?,15-,16+;13?,15?,16-;15?,16-;13?,15-;14?,15-/m11111/s1
InChIKeySKYFHWZEVRJSIK-MCTKIBEGSA-N
MW2416.40 g/mol
LogP17.95
Rot. Bonds22

About (2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide

(2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide (PubChem CID 160864651) has the molecular formula C114H134Cl4F6N40O6 and a molecular weight of 2416.40 g/mol. Its IUPAC name is (2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide
PubChem CID160864651
Molecular FormulaC114H134Cl4F6N40O6
Molecular Weight2416.40 g/mol
Exact Mass2413.01
IUPAC Name(2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide
SMILESCC1CCN(C(=O)N[C@@H]2CCCC(Nc3nc(-c4nn(C)c5ncc(Cl)cc45)ncc3F)C2)C1.Cn1cncc1C(=O)N[C@@H]1CCCC(Cc2nc(-c3nn(C)c4ncc(F)cc34)ncc2F)C1.Cn1nc(-c2ncc(F)c(NC3CCC[C@@H](NC(=O)N4CCCC4)C3)n2)c2cc(Cl)cnc21.Cn1nc(-c2ncc(F)c(NC3CCC[C@@H](NC(=O)N4CCCCC4)C3)n2)c2cc(Cl)cnc21.Cn1nc(-c2ncc(F)c(NC3CCC[C@@H](NC(=O)N4CCC[C@H]4CO)C3)n2)c2cc(Cl)cnc21
InChIInChI=1S/C23H28ClFN8O2.2C23H28ClFN8O.C23H24F2N8O.C22H26ClFN8O/c1-32-22-17(8-13(24)10-27-22)19(31-32)21-26-11-18(25)20(30-21)28-14-4-2-5-15(9-14)29-23(35)33-7-3-6-16(33)12-34;1-13-6-7-33(12-13)23(34)29-16-5-3-4-15(9-16)28-20-18(25)11-26-21(30-20)19-17-8-14(24)10-27-22(17)32(2)31-19;1-32-22-17(10-14(24)12-27-22)19(31-32)21-26-13-18(25)20(30-21)28-15-6-5-7-16(11-15)29-23(34)33-8-3-2-4-9-33;1-32-12-26-11-19(32)23(34)29-15-5-3-4-13(6-15)7-18-17(25)10-27-21(30-18)20-16-8-14(24)9-28-22(16)33(2)31-20;1-31-21-16(9-13(23)11-26-21)18(30-31)20-25-12-17(24)19(29-20)27-14-5-4-6-15(10-14)28-22(33)32-7-2-3-8-32/h8,10-11,14-16,34H,2-7,9,12H2,1H3,(H,29,35)(H,26,28,30);8,10-11,13,15-16H,3-7,9,12H2,1-2H3,(H,29,34)(H,26,28,30);10,12-13,15-16H,2-9,11H2,1H3,(H,29,34)(H,26,28,30);8-13,15H,3-7H2,1-2H3,(H,29,34);9,11-12,14-15H,2-8,10H2,1H3,(H,28,33)(H,25,27,29)/t14?,15-,16+;13?,15?,16-;15?,16-;13?,15-;14?,15-/m11111/s1
InChIKeySKYFHWZEVRJSIK-MCTKIBEGSA-N
XLogP17.95
TPSA527.08 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds22
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002416.40
LogP ≤ 517.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze (2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide with MolForge

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Related Compounds

1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone
CID 157135017
[4-[6-(3-Chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 157170770
8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 157210328
[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 157225219
[8-Tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;(2,2-dimethylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
CID 157697778
[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[8-tert-butyl-6-(4-fluorophenyl)-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 157755850
(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 158116506
(2R)-2-amino-3-cyclohexyl-1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]propan-1-one;tert-butyl 4-(6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazine-1-carboxylate;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]prop-2-en-1-one;(1-hydroxycyclobutyl) 4-(6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazine-1-carboxylate
CID 158366428
2-(6-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrazol-1-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;bis(4-methyl-N-[2-(4-methylcyclohexyl)propan-2-yl]-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide)
CID 158859836
1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-3-methylbutan-1-one;1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-phenylethanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-phenylmethanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-4-(1H-imidazole-2-carbonyl)-3-methylpiperazin-1-yl]methanone
CID 159033175
2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 159270168
6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-6-[(1S,2S)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-imidazo[1,2-a]pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160083809

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of (2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide (CID 160864651) is (2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide is CC1CCN(C(=O)N[C@@H]2CCCC(Nc3nc(-c4nn(C)c5ncc(Cl)cc45)ncc3F)C2)C1.Cn1cncc1C(=O)N[C@@H]1CCCC(Cc2nc(-c3nn(C)c4ncc(F)cc34)ncc2F)C1.Cn1nc(-c2ncc(F)c(NC3CCC[C@@H](NC(=O)N4CCCC4)C3)n2)c2cc(Cl)cnc21.Cn1nc(-c2ncc(F)c(NC3CCC[C@@H](NC(=O)N4CCCCC4)C3)n2)c2cc(Cl)cnc21.Cn1nc(-c2ncc(F)c(NC3CCC[C@@H](NC(=O)N4CCC[C@H]4CO)C3)n2)c2cc(Cl)cnc21.
What is the InChIKey of (2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide?
The InChIKey is SKYFHWZEVRJSIK-MCTKIBEGSA-N. The full InChI is InChI=1S/C23H28ClFN8O2.2C23H28ClFN8O.C23H24F2N8O.C22H26ClFN8O/c1-32-22-17(8-13(24)10-27-22)19(31-32)21-26-11-18(25)20(30-21)28-14-4-2-5-15(9-14)29-23(35)33-7-3-6-16(33)12-34;1-13-6-7-33(12-13)23(34)29-16-5-3-4-15(9-16)28-20-18(25)11-26-21(30-20)19-17-8-14(24)10-27-22(17)32(2)31-19;1-32-22-17(10-14(24)12-27-22)19(31-32)21-26-13-18(25)20(30-21)28-15-6-5-7-16(11-15)29-23(34)33-8-3-2-4-9-33;1-32-12-26-11-19(32)23(34)29-15-5-3-4-13(6-15)7-18-17(25)10-27-21(30-18)20-16-8-14(24)9-28-22(16)33(2)31-20;1-31-21-16(9-13(23)11-26-21)18(30-31)20-25-12-17(24)19(29-20)27-14-5-4-6-15(10-14)28-22(33)32-7-2-3-8-32/h8,10-11,14-16,34H,2-7,9,12H2,1H3,(H,29,35)(H,26,28,30);8,10-11,13,15-16H,3-7,9,12H2,1-2H3,(H,29,34)(H,26,28,30);10,12-13,15-16H,2-9,11H2,1H3,(H,29,34)(H,26,28,30);8-13,15H,3-7H2,1-2H3,(H,29,34);9,11-12,14-15H,2-8,10H2,1H3,(H,28,33)(H,25,27,29)/t14?,15-,16+;13?,15?,16-;15?,16-;13?,15-;14?,15-/m11111/s1.
What are the key properties of (2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide?
(2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide has a molecular weight of 2416.40 g/mol, XLogP of 17.95, 22 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 160864651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).