N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine

C147H170F8N34O — CID 159361353

IUPACN-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine
SMILESCc1cc(F)ccc1C(C)NC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(C)c3ccccc23)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(N3CCOCC3)c3ccccc23)CC1.Cc1cccnc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3cc(F)cc(C(F)(F)F)c3)CC2)c2c1CCC2
InChIInChI=1S/C26H29FN6.C25H30FN5O.C25H29N7.C24H26F4N6.C24H29FN6.C23H27FN4/c1-17-16-19(27)8-9-21(17)18(2)29-20-11-14-33(15-12-20)26-23-7-5-4-6-22(23)25(30-31-26)24-10-13-28-32(24)3;1-18-16-20(26)7-6-19(18)17-27-21-8-10-30(11-9-21)24-22-4-2-3-5-23(22)25(29-28-24)31-12-14-32-15-13-31;1-18-7-6-13-26-22(18)17-30(2)19-11-15-32(16-12-19)25-21-9-5-4-8-20(21)24(28-29-25)23-10-14-27-31(23)3;1-33-21(5-8-30-33)22-19-3-2-4-20(19)23(32-31-22)34-9-6-18(7-10-34)29-14-15-11-16(24(26,27)28)13-17(25)12-15;1-16-14-18(25)7-6-17(16)15-26-19-9-12-31(13-10-19)24-21-5-3-4-20(21)23(28-29-24)22-8-11-27-30(22)2;1-16-14-19(24)9-8-18(16)15-27(3)20-10-12-28(13-11-20)23-22-7-5-4-6-21(22)17(2)25-26-23/h4-10,13,16,18,20,29H,11-12,14-15H2,1-3H3;2-7,16,21,27H,8-15,17H2,1H3;4-10,13-14,19H,11-12,15-17H2,1-3H3;5,8,11-13,18,29H,2-4,6-7,9-10,14H2,1H3;6-8,11,14,19,26H,3-5,9-10,12-13,15H2,1-2H3;4-9,14,20H,10-13,15H2,1-3H3
InChIKeyLIOSJTKGQPKYRZ-UHFFFAOYSA-N
MW2581.20 g/mol
LogP24.65
Rot. Bonds29

About N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine

N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine (PubChem CID 159361353) has the molecular formula C147H170F8N34O and a molecular weight of 2581.20 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine
PubChem CID159361353
Molecular FormulaC147H170F8N34O
Molecular Weight2581.20 g/mol
Exact Mass2579.42
IUPAC NameN-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine
SMILESCc1cc(F)ccc1C(C)NC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(C)c3ccccc23)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(N3CCOCC3)c3ccccc23)CC1.Cc1cccnc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3cc(F)cc(C(F)(F)F)c3)CC2)c2c1CCC2
InChIInChI=1S/C26H29FN6.C25H30FN5O.C25H29N7.C24H26F4N6.C24H29FN6.C23H27FN4/c1-17-16-19(27)8-9-21(17)18(2)29-20-11-14-33(15-12-20)26-23-7-5-4-6-22(23)25(30-31-26)24-10-13-28-32(24)3;1-18-16-20(26)7-6-19(18)17-27-21-8-10-30(11-9-21)24-22-4-2-3-5-23(22)25(29-28-24)31-12-14-32-15-13-31;1-18-7-6-13-26-22(18)17-30(2)19-11-15-32(16-12-19)25-21-9-5-4-8-20(21)24(28-29-25)23-10-14-27-31(23)3;1-33-21(5-8-30-33)22-19-3-2-4-20(19)23(32-31-22)34-9-6-18(7-10-34)29-14-15-11-16(24(26,27)28)13-17(25)12-15;1-16-14-18(25)7-6-17(16)15-26-19-9-12-31(13-10-19)24-21-5-3-4-20(21)23(28-29-24)22-8-11-27-30(22)2;1-16-14-19(24)9-8-18(16)15-27(3)20-10-12-28(13-11-20)23-22-7-5-4-6-21(22)17(2)25-26-23/h4-10,13,16,18,20,29H,11-12,14-15H2,1-3H3;2-7,16,21,27H,8-15,17H2,1H3;4-10,13-14,19H,11-12,15-17H2,1-3H3;5,8,11-13,18,29H,2-4,6-7,9-10,14H2,1H3;6-8,11,14,19,26H,3-5,9-10,12-13,15H2,1-2H3;4-9,14,20H,10-13,15H2,1-3H3
InChIKeyLIOSJTKGQPKYRZ-UHFFFAOYSA-N
XLogP24.65
TPSA325.36 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002581.20
LogP ≤ 524.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Analyze N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

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
1-N-cyclobutyl-1-N,3-dimethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-cyclopropyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-N-(2-methoxyethyl)-3-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine
CID 157446494
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
Bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea
CID 158078184
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
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-(2,4-difluorophenyl)-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-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-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;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
CID 158217425
1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-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
CID 158497260
N-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-5-fluoro-N-methyl-3-(trifluoromethyl)pyridin-2-amine;5-fluoro-N-methyl-N-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]-3-(trifluoromethyl)pyridin-2-amine;5-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-(trifluoromethyl)pyridin-2-amine;5-fluoro-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-(trifluoromethyl)pyridin-2-amine;5-fluoro-N-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]-3-(trifluoromethyl)pyridin-2-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyridazin-4-yl)methyl]piperidin-4-amine
CID 158539276
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine (CID 159361353) is N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine is Cc1cc(F)ccc1C(C)NC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(C)c3ccccc23)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(N3CCOCC3)c3ccccc23)CC1.Cc1cccnc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3cc(F)cc(C(F)(F)F)c3)CC2)c2c1CCC2.
What is the InChIKey of N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is LIOSJTKGQPKYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6.C25H30FN5O.C25H29N7.C24H26F4N6.C24H29FN6.C23H27FN4/c1-17-16-19(27)8-9-21(17)18(2)29-20-11-14-33(15-12-20)26-23-7-5-4-6-22(23)25(30-31-26)24-10-13-28-32(24)3;1-18-16-20(26)7-6-19(18)17-27-21-8-10-30(11-9-21)24-22-4-2-3-5-23(22)25(29-28-24)31-12-14-32-15-13-31;1-18-7-6-13-26-22(18)17-30(2)19-11-15-32(16-12-19)25-21-9-5-4-8-20(21)24(28-29-25)23-10-14-27-31(23)3;1-33-21(5-8-30-33)22-19-3-2-4-20(19)23(32-31-22)34-9-6-18(7-10-34)29-14-15-11-16(24(26,27)28)13-17(25)12-15;1-16-14-18(25)7-6-17(16)15-26-19-9-12-31(13-10-19)24-21-5-3-4-20(21)23(28-29-24)22-8-11-27-30(22)2;1-16-14-19(24)9-8-18(16)15-27(3)20-10-12-28(13-11-20)23-22-7-5-4-6-21(22)17(2)25-26-23/h4-10,13,16,18,20,29H,11-12,14-15H2,1-3H3;2-7,16,21,27H,8-15,17H2,1H3;4-10,13-14,19H,11-12,15-17H2,1-3H3;5,8,11-13,18,29H,2-4,6-7,9-10,14H2,1H3;6-8,11,14,19,26H,3-5,9-10,12-13,15H2,1-2H3;4-9,14,20H,10-13,15H2,1-3H3.
What are the key properties of N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine?
N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine has a molecular weight of 2581.20 g/mol, XLogP of 24.65, 29 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;N-[[3-fluoro-5-(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-methyl-2-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 159361353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).