3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine

C143H159F12N41O3 — CID 158589719

IUPAC3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine
SMILESCN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)NC(C)(C)C)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(C(F)(F)F)cn3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)c(C#N)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(Nc3ccc(F)cc3C(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C26H25F4N7O.C25H24FN7.C24H22F4N6.C24H24F3N7.C23H31N7O.C21H33N7O/c1-35(25(38)32-21-8-7-16(27)15-20(21)26(28,29)30)17-10-13-37(14-11-17)24-19-6-4-3-5-18(19)23(33-34-24)22-9-12-31-36(22)2;1-32-23(8-11-29-32)24-20-4-2-3-5-21(20)25(31-30-24)33-12-9-19(10-13-33)28-16-17-6-7-22(26)18(14-17)15-27;1-33-21(8-11-29-33)22-17-4-2-3-5-18(17)23(32-31-22)34-12-9-16(10-13-34)30-20-7-6-15(25)14-19(20)24(26,27)28;1-33-21(8-11-30-33)22-19-4-2-3-5-20(19)23(32-31-22)34-12-9-17(10-13-34)29-15-18-7-6-16(14-28-18)24(25,26)27;1-23(2,3)25-22(31)28(4)16-11-14-30(15-12-16)21-18-9-7-6-8-17(18)20(26-27-21)19-10-13-24-29(19)5;1-14-15(2)19(25-24-18(14)17-8-11-22-27(17)7)28-12-9-16(10-13-28)26(6)20(29)23-21(3,4)5/h3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,32,38);2-8,11,14,19,28H,9-10,12-13,16H2,1H3;2-8,11,14,16,30H,9-10,12-13H2,1H3;2-8,11,14,17,29H,9-10,12-13,15H2,1H3;6-10,13,16H,11-12,14-15H2,1-5H3,(H,25,31);8,11,16H,9-10,12-13H2,1-7H3,(H,23,29)
InChIKeyHUHIJRDQZIKILZ-UHFFFAOYSA-N
MW2728.10 g/mol
LogP24.93
Rot. Bonds24

About 3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine

3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine (PubChem CID 158589719) has the molecular formula C143H159F12N41O3 and a molecular weight of 2728.10 g/mol. Its IUPAC name is 3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine
PubChem CID158589719
Molecular FormulaC143H159F12N41O3
Molecular Weight2728.10 g/mol
Exact Mass2726.34
IUPAC Name3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine
SMILESCN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)NC(C)(C)C)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(C(F)(F)F)cn3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)c(C#N)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(Nc3ccc(F)cc3C(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C26H25F4N7O.C25H24FN7.C24H22F4N6.C24H24F3N7.C23H31N7O.C21H33N7O/c1-35(25(38)32-21-8-7-16(27)15-20(21)26(28,29)30)17-10-13-37(14-11-17)24-19-6-4-3-5-18(19)23(33-34-24)22-9-12-31-36(22)2;1-32-23(8-11-29-32)24-20-4-2-3-5-21(20)25(31-30-24)33-12-9-19(10-13-33)28-16-17-6-7-22(26)18(14-17)15-27;1-33-21(8-11-29-33)22-17-4-2-3-5-18(17)23(32-31-22)34-12-9-16(10-13-34)30-20-7-6-15(25)14-19(20)24(26,27)28;1-33-21(8-11-30-33)22-19-4-2-3-5-20(19)23(32-31-22)34-12-9-17(10-13-34)29-15-18-7-6-16(14-28-18)24(25,26)27;1-23(2,3)25-22(31)28(4)16-11-14-30(15-12-16)21-18-9-7-6-8-17(18)20(26-27-21)19-10-13-24-29(19)5;1-14-15(2)19(25-24-18(14)17-8-11-22-27(17)7)28-12-9-16(10-13-28)26(6)20(29)23-21(3,4)5/h3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,32,38);2-8,11,14,19,28H,9-10,12-13,16H2,1H3;2-8,11,14,16,30H,9-10,12-13H2,1H3;2-8,11,14,17,29H,9-10,12-13,15H2,1H3;6-10,13,16H,11-12,14-15H2,1-5H3,(H,25,31);8,11,16H,9-10,12-13H2,1-7H3,(H,23,29)
InChIKeyHUHIJRDQZIKILZ-UHFFFAOYSA-N
XLogP24.93
TPSA450.83 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002728.10
LogP ≤ 524.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[6-fluoro-4-(trifluoromethyl)-3-pyridinyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 144749727
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
CID 157297860
CID 157297860
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
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
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;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[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-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea
CID 157620709
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-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 157718378
3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 157762464
1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;4-fluoro-2-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]piperidin-4-amine;formate
CID 157844110

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine?
The IUPAC name of 3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine (CID 158589719) is 3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine.
What is the SMILES notation for 3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine?
The canonical SMILES for 3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine is CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)NC(C)(C)C)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(C(F)(F)F)cn3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)c(C#N)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(Nc3ccc(F)cc3C(F)(F)F)CC2)c2ccccc12.
What is the InChIKey of 3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine?
The InChIKey is HUHIJRDQZIKILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N7O.C25H24FN7.C24H22F4N6.C24H24F3N7.C23H31N7O.C21H33N7O/c1-35(25(38)32-21-8-7-16(27)15-20(21)26(28,29)30)17-10-13-37(14-11-17)24-19-6-4-3-5-18(19)23(33-34-24)22-9-12-31-36(22)2;1-32-23(8-11-29-32)24-20-4-2-3-5-21(20)25(31-30-24)33-12-9-19(10-13-33)28-16-17-6-7-22(26)18(14-17)15-27;1-33-21(8-11-29-33)22-17-4-2-3-5-18(17)23(32-31-22)34-12-9-16(10-13-34)30-20-7-6-15(25)14-19(20)24(26,27)28;1-33-21(8-11-30-33)22-19-4-2-3-5-20(19)23(32-31-22)34-12-9-17(10-13-34)29-15-18-7-6-16(14-28-18)24(25,26)27;1-23(2,3)25-22(31)28(4)16-11-14-30(15-12-16)21-18-9-7-6-8-17(18)20(26-27-21)19-10-13-24-29(19)5;1-14-15(2)19(25-24-18(14)17-8-11-22-27(17)7)28-12-9-16(10-13-28)26(6)20(29)23-21(3,4)5/h3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,32,38);2-8,11,14,19,28H,9-10,12-13,16H2,1H3;2-8,11,14,16,30H,9-10,12-13H2,1H3;2-8,11,14,17,29H,9-10,12-13,15H2,1H3;6-10,13,16H,11-12,14-15H2,1-5H3,(H,25,31);8,11,16H,9-10,12-13H2,1-7H3,(H,23,29).
What are the key properties of 3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine?
3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 2728.10 g/mol, XLogP of 24.93, 24 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-tert-butyl-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;2-fluoro-5-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 158589719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).