1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

C171H187F9N48O8 — CID 159707001

IUPAC1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCN(Cc1ccccc1OC(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.COc1ccccc1NC(=O)NC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c2ccccc12
InChIInChI=1S/C26H28F2N6O.2C25H24F3N7O.C25H27N7O2.C24H24FN7O.C24H31N7O.C22H29N7O/c1-32(17-18-7-3-6-10-23(18)35-26(27)28)19-12-15-34(16-13-19)25-21-9-5-4-8-20(21)24(30-31-25)22-11-14-29-33(22)2;1-34-21(9-12-29-34)22-19-7-2-3-8-20(19)23(33-32-22)35-13-10-17(11-14-35)30-24(36)31-18-6-4-5-16(15-18)25(26,27)28;1-34-21(10-13-29-34)22-19-4-2-3-5-20(19)23(33-32-22)35-14-11-18(12-15-35)31-24(36)30-17-8-6-16(7-9-17)25(26,27)28;1-31-21(11-14-26-31)23-18-7-3-4-8-19(18)24(30-29-23)32-15-12-17(13-16-32)27-25(33)28-20-9-5-6-10-22(20)34-2;1-31-21(9-12-26-31)22-19-7-2-3-8-20(19)23(30-29-22)32-13-10-17(11-14-32)27-24(33)28-18-6-4-5-16(25)15-18;1-30-21(11-14-25-30)22-19-9-5-6-10-20(19)23(29-28-22)31-15-12-18(13-16-31)27-24(32)26-17-7-3-2-4-8-17;1-22(2,3)25-21(30)24-15-10-13-29(14-11-15)20-17-8-6-5-7-16(17)19(26-27-20)18-9-12-23-28(18)4/h3-11,14,19,26H,12-13,15-17H2,1-2H3;2-9,12,15,17H,10-11,13-14H2,1H3,(H2,30,31,36);2-10,13,18H,11-12,14-15H2,1H3,(H2,30,31,36);3-11,14,17H,12-13,15-16H2,1-2H3,(H2,27,28,33);2-9,12,15,17H,10-11,13-14H2,1H3,(H2,27,28,33);5-6,9-11,14,17-18H,2-4,7-8,12-13,15-16H2,1H3,(H2,26,27,32);5-9,12,15H,10-11,13-14H2,1-4H3,(H2,24,25,30)
InChIKeyMYILNYAWFTVNEI-UHFFFAOYSA-N
MW3213.69 g/mol
LogP28.93
Rot. Bonds31

About 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 159707001) has the molecular formula C171H187F9N48O8 and a molecular weight of 3213.69 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID159707001
Molecular FormulaC171H187F9N48O8
Molecular Weight3213.69 g/mol
Exact Mass3211.56
IUPAC Name1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCN(Cc1ccccc1OC(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.COc1ccccc1NC(=O)NC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c2ccccc12
InChIInChI=1S/C26H28F2N6O.2C25H24F3N7O.C25H27N7O2.C24H24FN7O.C24H31N7O.C22H29N7O/c1-32(17-18-7-3-6-10-23(18)35-26(27)28)19-12-15-34(16-13-19)25-21-9-5-4-8-20(21)24(30-31-25)22-11-14-29-33(22)2;1-34-21(9-12-29-34)22-19-7-2-3-8-20(19)23(33-32-22)35-13-10-17(11-14-35)30-24(36)31-18-6-4-5-16(15-18)25(26,27)28;1-34-21(10-13-29-34)22-19-4-2-3-5-20(19)23(33-32-22)35-14-11-18(12-15-35)31-24(36)30-17-8-6-16(7-9-17)25(26,27)28;1-31-21(11-14-26-31)23-18-7-3-4-8-19(18)24(30-29-23)32-15-12-17(13-16-32)27-25(33)28-20-9-5-6-10-22(20)34-2;1-31-21(9-12-26-31)22-19-7-2-3-8-20(19)23(30-29-22)32-13-10-17(11-14-32)27-24(33)28-18-6-4-5-16(25)15-18;1-30-21(11-14-25-30)22-19-9-5-6-10-20(19)23(29-28-22)31-15-12-18(13-16-31)27-24(32)26-17-7-3-2-4-8-17;1-22(2,3)25-21(30)24-15-10-13-29(14-11-15)20-17-8-6-5-7-16(17)19(26-27-20)18-9-12-23-28(18)4/h3-11,14,19,26H,12-13,15-17H2,1-2H3;2-9,12,15,17H,10-11,13-14H2,1H3,(H2,30,31,36);2-10,13,18H,11-12,14-15H2,1H3,(H2,30,31,36);3-11,14,17H,12-13,15-16H2,1-2H3,(H2,27,28,33);2-9,12,15,17H,10-11,13-14H2,1H3,(H2,27,28,33);5-6,9-11,14,17-18H,2-4,7-8,12-13,15-16H2,1H3,(H2,26,27,32);5-9,12,15H,10-11,13-14H2,1-4H3,(H2,24,25,30)
InChIKeyMYILNYAWFTVNEI-UHFFFAOYSA-N
XLogP28.93
TPSA596.36 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003213.69
LogP ≤ 528.93
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 144749832
N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 158332936
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride
CID 158498507
3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-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;3-(4-fluoro-2-methylphenyl)-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 158564634
1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158612452
3-[6-cyano-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-3,4-dimethyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[(3S)-3,4-dimethyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3R)-3,4-dimethyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158700398
[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[4-[(3-morpholin-4-ylphenyl)methyl]piperazin-1-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[4-[(2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 159208741
N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 159764451
3-[6-cyano-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[(3S)-3,4-dimethyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3R)-3,4-dimethyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 159770232
1-(2,4-difluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[(2-ethoxyphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;2-fluoro-5-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-methyl-N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 159861894
3-tert-butyl-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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-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-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 160158344
1-[3-[5-(difluoromethyl)-2-fluoro-4-(2-methoxy-4-pyridinyl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 160629170

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 159707001) is 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is CN(Cc1ccccc1OC(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.COc1ccccc1NC(=O)NC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c2ccccc12.
What is the InChIKey of 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is MYILNYAWFTVNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O.2C25H24F3N7O.C25H27N7O2.C24H24FN7O.C24H31N7O.C22H29N7O/c1-32(17-18-7-3-6-10-23(18)35-26(27)28)19-12-15-34(16-13-19)25-21-9-5-4-8-20(21)24(30-31-25)22-11-14-29-33(22)2;1-34-21(9-12-29-34)22-19-7-2-3-8-20(19)23(33-32-22)35-13-10-17(11-14-35)30-24(36)31-18-6-4-5-16(15-18)25(26,27)28;1-34-21(10-13-29-34)22-19-4-2-3-5-20(19)23(33-32-22)35-14-11-18(12-15-35)31-24(36)30-17-8-6-16(7-9-17)25(26,27)28;1-31-21(11-14-26-31)23-18-7-3-4-8-19(18)24(30-29-23)32-15-12-17(13-16-32)27-25(33)28-20-9-5-6-10-22(20)34-2;1-31-21(9-12-26-31)22-19-7-2-3-8-20(19)23(30-29-22)32-13-10-17(11-14-32)27-24(33)28-18-6-4-5-16(25)15-18;1-30-21(11-14-25-30)22-19-9-5-6-10-20(19)23(29-28-22)31-15-12-18(13-16-31)27-24(32)26-17-7-3-2-4-8-17;1-22(2,3)25-21(30)24-15-10-13-29(14-11-15)20-17-8-6-5-7-16(17)19(26-27-20)18-9-12-23-28(18)4/h3-11,14,19,26H,12-13,15-17H2,1-2H3;2-9,12,15,17H,10-11,13-14H2,1H3,(H2,30,31,36);2-10,13,18H,11-12,14-15H2,1H3,(H2,30,31,36);3-11,14,17H,12-13,15-16H2,1-2H3,(H2,27,28,33);2-9,12,15,17H,10-11,13-14H2,1H3,(H2,27,28,33);5-6,9-11,14,17-18H,2-4,7-8,12-13,15-16H2,1H3,(H2,26,27,32);5-9,12,15H,10-11,13-14H2,1-4H3,(H2,24,25,30).
What are the key properties of 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 3213.69 g/mol, XLogP of 28.93, 31 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 159707001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).