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

C179H189F10N45O3 — CID 159861894

IUPAC1-(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
SMILESCCOc1ccccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(C(F)(F)F)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(F)c(C#N)c1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1cccc(C(F)(F)F)c1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1ccccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)c2ccccc12
InChIInChI=1S/C27H32N6O.2C26H27F3N6.C26H26FN7.C26H30N6.C24H23F2N7O.C24H24FN7O/c1-4-34-25-12-8-5-9-20(25)19-31(2)21-14-17-33(18-15-21)27-23-11-7-6-10-22(23)26(29-30-27)24-13-16-28-32(24)3;1-33(17-18-6-5-7-19(16-18)26(27,28)29)20-11-14-35(15-12-20)25-22-9-4-3-8-21(22)24(31-32-25)23-10-13-30-34(23)2;1-33(17-18-7-9-19(10-8-18)26(27,28)29)20-12-15-35(16-13-20)25-22-6-4-3-5-21(22)24(31-32-25)23-11-14-30-34(23)2;1-32(17-18-7-8-23(27)19(15-18)16-28)20-10-13-34(14-11-20)26-22-6-4-3-5-21(22)25(30-31-26)24-9-12-29-33(24)2;1-19-8-4-5-9-20(19)18-30(2)21-13-16-32(17-14-21)26-23-11-7-6-10-22(23)25(28-29-26)24-12-15-27-31(24)3;1-32-21(8-11-27-32)22-17-4-2-3-5-18(17)23(31-30-22)33-12-9-16(10-13-33)28-24(34)29-20-7-6-15(25)14-19(20)26;1-31-21(10-13-26-31)22-19-4-2-3-5-20(19)23(30-29-22)32-14-11-18(12-15-32)28-24(33)27-17-8-6-16(25)7-9-17/h5-13,16,21H,4,14-15,17-19H2,1-3H3;3-10,13,16,20H,11-12,14-15,17H2,1-2H3;3-11,14,20H,12-13,15-17H2,1-2H3;3-9,12,15,20H,10-11,13-14,17H2,1-2H3;4-12,15,21H,13-14,16-18H2,1-3H3;2-8,11,14,16H,9-10,12-13H2,1H3,(H2,28,29,34);2-10,13,18H,11-12,14-15H2,1H3,(H2,27,28,33)
InChIKeyNRGDPRANGVBXAY-UHFFFAOYSA-N
MW3208.77 g/mol
LogP31.47
Rot. Bonds35

About 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

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 (PubChem CID 159861894) has the molecular formula C179H189F10N45O3 and a molecular weight of 3208.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159861894
Molecular FormulaC179H189F10N45O3
Molecular Weight3208.77 g/mol
Exact Mass3206.59
IUPAC Name1-(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
SMILESCCOc1ccccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(C(F)(F)F)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(F)c(C#N)c1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1cccc(C(F)(F)F)c1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1ccccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)c2ccccc12
InChIInChI=1S/C27H32N6O.2C26H27F3N6.C26H26FN7.C26H30N6.C24H23F2N7O.C24H24FN7O/c1-4-34-25-12-8-5-9-20(25)19-31(2)21-14-17-33(18-15-21)27-23-11-7-6-10-22(23)26(29-30-27)24-13-16-28-32(24)3;1-33(17-18-6-5-7-19(16-18)26(27,28)29)20-11-14-35(15-12-20)25-22-9-4-3-8-21(22)24(31-32-25)23-10-13-30-34(23)2;1-33(17-18-7-9-19(10-8-18)26(27,28)29)20-12-15-35(16-13-20)25-22-6-4-3-5-21(22)24(31-32-25)23-11-14-30-34(23)2;1-32(17-18-7-8-23(27)19(15-18)16-28)20-10-13-34(14-11-20)26-22-6-4-3-5-21(22)25(30-31-26)24-9-12-29-33(24)2;1-19-8-4-5-9-20(19)18-30(2)21-13-16-32(17-14-21)26-23-11-7-6-10-22(23)25(28-29-26)24-12-15-27-31(24)3;1-32-21(8-11-27-32)22-17-4-2-3-5-18(17)23(31-30-22)33-12-9-16(10-13-33)28-24(34)29-20-7-6-15(25)14-19(20)26;1-31-21(10-13-26-31)22-19-4-2-3-5-20(19)23(30-29-22)32-14-11-18(12-15-32)28-24(33)27-17-8-6-16(25)7-9-17/h5-13,16,21H,4,14-15,17-19H2,1-3H3;3-10,13,16,20H,11-12,14-15,17H2,1-2H3;3-11,14,20H,12-13,15-17H2,1-2H3;3-9,12,15,20H,10-11,13-14,17H2,1-2H3;4-12,15,21H,13-14,16-18H2,1-3H3;2-8,11,14,16H,9-10,12-13H2,1H3,(H2,28,29,34);2-10,13,18H,11-12,14-15H2,1H3,(H2,27,28,33)
InChIKeyNRGDPRANGVBXAY-UHFFFAOYSA-N
XLogP31.47
TPSA459.36 Ų
H-Bond Donors4
H-Bond Acceptors44
Rotatable Bonds35
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003208.77
LogP ≤ 531.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1044

Analyze 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 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
2-(2,4-difluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine;2-(2-ethoxy-4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine;2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyridine;2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)pyridine;1-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinoline;5-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;2-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 158601779
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
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
N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 159721327
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
N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine;N-[(2-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
CID 160127221
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
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
CID 160792502

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1ccccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(C(F)(F)F)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(F)c(C#N)c1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1cccc(C(F)(F)F)c1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1ccccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is NRGDPRANGVBXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O.2C26H27F3N6.C26H26FN7.C26H30N6.C24H23F2N7O.C24H24FN7O/c1-4-34-25-12-8-5-9-20(25)19-31(2)21-14-17-33(18-15-21)27-23-11-7-6-10-22(23)26(29-30-27)24-13-16-28-32(24)3;1-33(17-18-6-5-7-19(16-18)26(27,28)29)20-11-14-35(15-12-20)25-22-9-4-3-8-21(22)24(31-32-25)23-10-13-30-34(23)2;1-33(17-18-7-9-19(10-8-18)26(27,28)29)20-12-15-35(16-13-20)25-22-6-4-3-5-21(22)24(31-32-25)23-11-14-30-34(23)2;1-32(17-18-7-8-23(27)19(15-18)16-28)20-10-13-34(14-11-20)26-22-6-4-3-5-21(22)25(30-31-26)24-9-12-29-33(24)2;1-19-8-4-5-9-20(19)18-30(2)21-13-16-32(17-14-21)26-23-11-7-6-10-22(23)25(28-29-26)24-12-15-27-31(24)3;1-32-21(8-11-27-32)22-17-4-2-3-5-18(17)23(31-30-22)33-12-9-16(10-13-33)28-24(34)29-20-7-6-15(25)14-19(20)26;1-31-21(10-13-26-31)22-19-4-2-3-5-20(19)23(30-29-22)32-14-11-18(12-15-32)28-24(33)27-17-8-6-16(25)7-9-17/h5-13,16,21H,4,14-15,17-19H2,1-3H3;3-10,13,16,20H,11-12,14-15,17H2,1-2H3;3-11,14,20H,12-13,15-17H2,1-2H3;3-9,12,15,20H,10-11,13-14,17H2,1-2H3;4-12,15,21H,13-14,16-18H2,1-3H3;2-8,11,14,16H,9-10,12-13H2,1H3,(H2,28,29,34);2-10,13,18H,11-12,14-15H2,1H3,(H2,27,28,33).
What are the key properties of 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?
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 has a molecular weight of 3208.77 g/mol, XLogP of 31.47, 35 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159861894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).