3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea

C164H193F13N52O7 — CID 158912028

IUPAC3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea
SMILESCN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ncccc23)CC1.CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.CN(C(=O)Nc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccc(F)cc3F)CC2)c1C.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccccc3F)CC2)c1C
InChIInChI=1S/C25H24F4N8O.C25H27F4N7O.C24H24F2N8O.C23H27F2N7O.C23H28FN7O.C22H30N8O.C22H33N7O/c1-35(24(38)32-19-6-5-15(26)14-18(19)25(27,28)29)16-8-12-37(13-9-16)23-22-17(4-3-10-30-22)21(33-34-23)20-7-11-31-36(20)2;1-34(24(37)31-20-7-6-15(26)14-19(20)25(27,28)29)16-9-12-36(13-10-16)23-18-5-3-4-17(18)22(32-33-23)21-8-11-30-35(21)2;1-32(24(35)29-19-6-5-15(25)14-18(19)26)16-8-12-34(13-9-16)23-22-17(4-3-10-27-22)21(30-31-23)20-7-11-28-33(20)2;1-14-15(2)22(29-28-21(14)20-7-10-26-31(20)4)32-11-8-17(9-12-32)30(3)23(33)27-19-6-5-16(24)13-18(19)25;1-15-16(2)22(28-27-21(15)20-9-12-25-30(20)4)31-13-10-17(11-14-31)29(3)23(32)26-19-8-6-5-7-18(19)24;1-22(2,3)25-21(31)28(4)15-9-13-30(14-10-15)20-16-7-6-11-23-18(16)19(26-27-20)17-8-12-24-29(17)5;1-22(2,3)24-21(30)27(4)15-10-13-29(14-11-15)20-17-8-6-7-16(17)19(25-26-20)18-9-12-23-28(18)5/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,32,38);6-8,11,14,16H,3-5,9-10,12-13H2,1-2H3,(H,31,37);3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,29,35);5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,27,33);5-9,12,17H,10-11,13-14H2,1-4H3,(H,26,32);6-8,11-12,15H,9-10,13-14H2,1-5H3,(H,25,31);9,12,15H,6-8,10-11,13-14H2,1-5H3,(H,24,30)
InChIKeyJGTOWAWCHBZLJZ-UHFFFAOYSA-N
MW3251.68 g/mol
LogP26.49
Rot. Bonds26

About 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea

3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea (PubChem CID 158912028) has the molecular formula C164H193F13N52O7 and a molecular weight of 3251.68 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea
PubChem CID158912028
Molecular FormulaC164H193F13N52O7
Molecular Weight3251.68 g/mol
Exact Mass3249.61
IUPAC Name3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea
SMILESCN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ncccc23)CC1.CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.CN(C(=O)Nc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccc(F)cc3F)CC2)c1C.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccccc3F)CC2)c1C
InChIInChI=1S/C25H24F4N8O.C25H27F4N7O.C24H24F2N8O.C23H27F2N7O.C23H28FN7O.C22H30N8O.C22H33N7O/c1-35(24(38)32-19-6-5-15(26)14-18(19)25(27,28)29)16-8-12-37(13-9-16)23-22-17(4-3-10-30-22)21(33-34-23)20-7-11-31-36(20)2;1-34(24(37)31-20-7-6-15(26)14-19(20)25(27,28)29)16-9-12-36(13-10-16)23-18-5-3-4-17(18)22(32-33-23)21-8-11-30-35(21)2;1-32(24(35)29-19-6-5-15(25)14-18(19)26)16-8-12-34(13-9-16)23-22-17(4-3-10-27-22)21(30-31-23)20-7-11-28-33(20)2;1-14-15(2)22(29-28-21(14)20-7-10-26-31(20)4)32-11-8-17(9-12-32)30(3)23(33)27-19-6-5-16(24)13-18(19)25;1-15-16(2)22(28-27-21(15)20-9-12-25-30(20)4)31-13-10-17(11-14-31)29(3)23(32)26-19-8-6-5-7-18(19)24;1-22(2,3)25-21(31)28(4)15-9-13-30(14-10-15)20-16-7-6-11-23-18(16)19(26-27-20)17-8-12-24-29(17)5;1-22(2,3)24-21(30)27(4)15-10-13-29(14-11-15)20-17-8-6-7-16(17)19(25-26-20)18-9-12-23-28(18)5/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,32,38);6-8,11,14,16H,3-5,9-10,12-13H2,1-2H3,(H,31,37);3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,29,35);5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,27,33);5-9,12,17H,10-11,13-14H2,1-4H3,(H,26,32);6-8,11-12,15H,9-10,13-14H2,1-5H3,(H,25,31);9,12,15H,6-8,10-11,13-14H2,1-5H3,(H,24,30)
InChIKeyJGTOWAWCHBZLJZ-UHFFFAOYSA-N
XLogP26.49
TPSA592.93 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds26
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003251.68
LogP ≤ 526.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Analyze 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea with MolForge

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Related Compounds

3-[4-Fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea
CID 117727295
(9S)-N-(1-ethylindazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-3-[6-[[(9S)-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carbonyl]amino]pyridin-3-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 132192387
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine
CID 144749657
N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine
CID 144749754
3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 157312835
(11R,15S)-5-anilino-4-[[4-[5-(1,1-difluoroethyl)-2-pyridinyl]phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-3-[[4-(3-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(3-methyl-2-pyridinyl)phenyl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(4-methyl-2-pyridinyl)phenyl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;methane
CID 157359249
(9S)-5-(2-methyl-4-pyridinyl)-N-(4-pyrrolidin-1-yl-2-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-N-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-N-[4-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 157421670
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea
CID 157426435
1-[1-(cyclopropylmethyl)-3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157450309
(11R,15S)-5-anilino-4-[[4-[5-(1,1-difluoroethyl)-2-pyridinyl]phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-3-[[4-(6-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[[4-(5-methyl-2-pyridinyl)phenyl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(5-methyl-2-pyridinyl)phenyl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 157476043
3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 157520363
8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(2,5-dihydropyrrol-1-yl)isoquinoline;8-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)isoquinoline;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;5-tert-butyl-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one
CID 157537924

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea?
The IUPAC name of 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea (CID 158912028) is 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea.
What is the SMILES notation for 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea?
The canonical SMILES for 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea is CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ncccc23)CC1.CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.CN(C(=O)Nc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccc(F)cc3F)CC2)c1C.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccccc3F)CC2)c1C.
What is the InChIKey of 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea?
The InChIKey is JGTOWAWCHBZLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N8O.C25H27F4N7O.C24H24F2N8O.C23H27F2N7O.C23H28FN7O.C22H30N8O.C22H33N7O/c1-35(24(38)32-19-6-5-15(26)14-18(19)25(27,28)29)16-8-12-37(13-9-16)23-22-17(4-3-10-30-22)21(33-34-23)20-7-11-31-36(20)2;1-34(24(37)31-20-7-6-15(26)14-19(20)25(27,28)29)16-9-12-36(13-10-16)23-18-5-3-4-17(18)22(32-33-23)21-8-11-30-35(21)2;1-32(24(35)29-19-6-5-15(25)14-18(19)26)16-8-12-34(13-9-16)23-22-17(4-3-10-27-22)21(30-31-23)20-7-11-28-33(20)2;1-14-15(2)22(29-28-21(14)20-7-10-26-31(20)4)32-11-8-17(9-12-32)30(3)23(33)27-19-6-5-16(24)13-18(19)25;1-15-16(2)22(28-27-21(15)20-9-12-25-30(20)4)31-13-10-17(11-14-31)29(3)23(32)26-19-8-6-5-7-18(19)24;1-22(2,3)25-21(31)28(4)15-9-13-30(14-10-15)20-16-7-6-11-23-18(16)19(26-27-20)17-8-12-24-29(17)5;1-22(2,3)24-21(30)27(4)15-10-13-29(14-11-15)20-17-8-6-7-16(17)19(25-26-20)18-9-12-23-28(18)5/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,32,38);6-8,11,14,16H,3-5,9-10,12-13H2,1-2H3,(H,31,37);3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,29,35);5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,27,33);5-9,12,17H,10-11,13-14H2,1-4H3,(H,26,32);6-8,11-12,15H,9-10,13-14H2,1-5H3,(H,25,31);9,12,15H,6-8,10-11,13-14H2,1-5H3,(H,24,30).
What are the key properties of 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea?
3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea has a molecular weight of 3251.68 g/mol, XLogP of 26.49, 26 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-(2-fluorophenyl)-1-methylurea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea is sourced from PubChem (CID 158912028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).