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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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

C136H173F7N42O4 — CID 158152575

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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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)c3c2CCC3)CC1.CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ccncc23)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(Nc3ccc(F)cc3C(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C24H22F4N6.C24H24F3N7.C23H31N7O.C22H30N8O.C22H33N7O.C21H33N7O/c1-33-21(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;1-22(2,3)25-21(31)28(4)15-8-12-30(13-9-15)20-17-14-23-10-6-16(17)19(26-27-20)18-7-11-24-29(18)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;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/h2-8,11,14,16,30H,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);6-7,10-11,14-15H,8-9,12-13H2,1-5H3,(H,25,31);9,12,15H,6-8,10-11,13-14H2,1-5H3,(H,24,30);8,11,16H,9-10,12-13H2,1-7H3,(H,23,29)
InChIKeyFVHIDKSDBUJXJR-UHFFFAOYSA-N
MW2593.16 g/mol
LogP21.42
Rot. Bonds21

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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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 158152575) has the molecular formula C136H173F7N42O4 and a molecular weight of 2593.16 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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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 CID158152575
Molecular FormulaC136H173F7N42O4
Molecular Weight2593.16 g/mol
Exact Mass2591.45
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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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)c3c2CCC3)CC1.CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ccncc23)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(Nc3ccc(F)cc3C(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C24H22F4N6.C24H24F3N7.C23H31N7O.C22H30N8O.C22H33N7O.C21H33N7O/c1-33-21(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;1-22(2,3)25-21(31)28(4)15-8-12-30(13-9-15)20-17-14-23-10-6-16(17)19(26-27-20)18-7-11-24-29(18)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;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/h2-8,11,14,16,30H,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);6-7,10-11,14-15H,8-9,12-13H2,1-5H3,(H,25,31);9,12,15H,6-8,10-11,13-14H2,1-5H3,(H,24,30);8,11,16H,9-10,12-13H2,1-7H3,(H,23,29)
InChIKeyFVHIDKSDBUJXJR-UHFFFAOYSA-N
XLogP21.42
TPSA460.24 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds21
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002593.16
LogP ≤ 521.42
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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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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Related Compounds

(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-[[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
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
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-[6-(1,1-difluorobutyl)-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2R,5R)-2-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone;1-[3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-[(2S,5R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperazin-1-yl]ethanone;2-[(2S,5R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;2-[(2S,5R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperazin-1-yl]-1-[3-[(4-fluorophenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2S,5R)-5-methyl-2-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 157550607

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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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 158152575) 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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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)c3c2CCC3)CC1.CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3ccncc23)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(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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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 FVHIDKSDBUJXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N6.C24H24F3N7.C23H31N7O.C22H30N8O.C22H33N7O.C21H33N7O/c1-33-21(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;1-22(2,3)25-21(31)28(4)15-8-12-30(13-9-15)20-17-14-23-10-6-16(17)19(26-27-20)18-7-11-24-29(18)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;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/h2-8,11,14,16,30H,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);6-7,10-11,14-15H,8-9,12-13H2,1-5H3,(H,25,31);9,12,15H,6-8,10-11,13-14H2,1-5H3,(H,24,30);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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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 2593.16 g/mol, XLogP of 21.42, 21 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-[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-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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 158152575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).