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

C117H132F16N36O5 — CID 160525670

IUPAC1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1C.Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2cccnc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c2c1CCC2
InChIInChI=1S/C25H27F4N7O.C24H25F4N7O.C24H27F4N7O.C23H25F4N7O.C21H28N8O/c1-34(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;1-34-20(7-10-29-34)21-16-3-2-4-17(16)22(33-32-21)35-11-8-15(9-12-35)30-23(36)31-19-6-5-14(25)13-18(19)24(26,27)28;1-14-15(2)22(32-31-21(14)20-7-10-29-34(20)4)35-11-8-17(9-12-35)33(3)23(36)30-19-6-5-16(25)13-18(19)24(26,27)28;1-13-14(2)21(32-31-20(13)19-6-9-28-33(19)3)34-10-7-16(8-11-34)29-22(35)30-18-5-4-15(24)12-17(18)23(25,26)27;1-21(2,3)25-20(30)24-14-8-12-29(13-9-14)19-15-6-5-10-22-17(15)18(26-27-19)16-7-11-23-28(16)4/h6-8,11,14,16H,3-5,9-10,12-13H2,1-2H3,(H,31,37);5-7,10,13,15H,2-4,8-9,11-12H2,1H3,(H2,30,31,36);5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,30,36);4-6,9,12,16H,7-8,10-11H2,1-3H3,(H2,29,30,35);5-7,10-11,14H,8-9,12-13H2,1-4H3,(H2,24,25,30)
InChIKeyQUVVODOKJODEAO-UHFFFAOYSA-N
MW2426.56 g/mol
LogP20.69
Rot. Bonds19

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

1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea (PubChem CID 160525670) has the molecular formula C117H132F16N36O5 and a molecular weight of 2426.56 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea
PubChem CID160525670
Molecular FormulaC117H132F16N36O5
Molecular Weight2426.56 g/mol
Exact Mass2425.09
IUPAC Name1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1C.Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2cccnc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c2c1CCC2
InChIInChI=1S/C25H27F4N7O.C24H25F4N7O.C24H27F4N7O.C23H25F4N7O.C21H28N8O/c1-34(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;1-34-20(7-10-29-34)21-16-3-2-4-17(16)22(33-32-21)35-11-8-15(9-12-35)30-23(36)31-19-6-5-14(25)13-18(19)24(26,27)28;1-14-15(2)22(32-31-21(14)20-7-10-29-34(20)4)35-11-8-17(9-12-35)33(3)23(36)30-19-6-5-16(25)13-18(19)24(26,27)28;1-13-14(2)21(32-31-20(13)19-6-9-28-33(19)3)34-10-7-16(8-11-34)29-22(35)30-18-5-4-15(24)12-17(18)23(25,26)27;1-21(2,3)25-20(30)24-14-8-12-29(13-9-14)19-15-6-5-10-22-17(15)18(26-27-19)16-7-11-23-28(16)4/h6-8,11,14,16H,3-5,9-10,12-13H2,1-2H3,(H,31,37);5-7,10,13,15H,2-4,8-9,11-12H2,1H3,(H2,30,31,36);5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,30,36);4-6,9,12,16H,7-8,10-11H2,1-3H3,(H2,29,30,35);5-7,10-11,14H,8-9,12-13H2,1-4H3,(H2,24,25,30)
InChIKeyQUVVODOKJODEAO-UHFFFAOYSA-N
XLogP20.69
TPSA435.16 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002426.56
LogP ≤ 520.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-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
1-[4-Fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea
CID 117727299
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 117727301
(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
2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine
CID 144749823
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
(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
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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea?
The IUPAC name of 1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea (CID 160525670) is 1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea is CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1C.Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2cccnc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c2c1CCC2.
What is the InChIKey of 1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea?
The InChIKey is QUVVODOKJODEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N7O.C24H25F4N7O.C24H27F4N7O.C23H25F4N7O.C21H28N8O/c1-34(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;1-34-20(7-10-29-34)21-16-3-2-4-17(16)22(33-32-21)35-11-8-15(9-12-35)30-23(36)31-19-6-5-14(25)13-18(19)24(26,27)28;1-14-15(2)22(32-31-21(14)20-7-10-29-34(20)4)35-11-8-17(9-12-35)33(3)23(36)30-19-6-5-16(25)13-18(19)24(26,27)28;1-13-14(2)21(32-31-20(13)19-6-9-28-33(19)3)34-10-7-16(8-11-34)29-22(35)30-18-5-4-15(24)12-17(18)23(25,26)27;1-21(2,3)25-20(30)24-14-8-12-29(13-9-14)19-15-6-5-10-22-17(15)18(26-27-19)16-7-11-23-28(16)4/h6-8,11,14,16H,3-5,9-10,12-13H2,1-2H3,(H,31,37);5-7,10,13,15H,2-4,8-9,11-12H2,1H3,(H2,30,31,36);5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,30,36);4-6,9,12,16H,7-8,10-11H2,1-3H3,(H2,29,30,35);5-7,10-11,14H,8-9,12-13H2,1-4H3,(H2,24,25,30).
What are the key properties of 1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea?
1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea has a molecular weight of 2426.56 g/mol, XLogP of 20.69, 19 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea;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;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea is sourced from PubChem (CID 160525670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).