N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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

C148H160F9N37O — CID 162110409

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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
SMILESCC(=O)N(Cc1ccc(F)cc1C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(F)cc1C(F)(F)F)C1CCCN(c2nnc(-c3ccnn3C)c3ccccc23)C1.Cc1cc(F)ccc1CN(C)C1CCN(c2ccc(-c3ccnn3C)nn2)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3ccccc3F)CC2)c2ccccc12
InChIInChI=1S/C27H29FN6O.C26H26F4N6.C25H27FN6.C24H26FN7.C24H25FN6.C22H27FN6/c1-18-16-21(28)9-8-20(18)17-34(19(2)35)22-11-14-33(15-12-22)27-24-7-5-4-6-23(24)26(30-31-27)25-10-13-29-32(25)3;1-34(15-17-9-10-18(27)14-22(17)26(28,29)30)19-6-5-13-36(16-19)25-21-8-4-3-7-20(21)24(32-33-25)23-11-12-31-35(23)2;1-17-15-19(26)8-7-18(17)16-27-20-10-13-32(14-11-20)25-22-6-4-3-5-21(22)24(29-30-25)23-9-12-28-31(23)2;1-16-14-18(25)6-5-17(16)15-27-19-8-12-32(13-9-19)24-23-20(4-3-10-26-23)22(29-30-24)21-7-11-28-31(21)2;1-30-22(10-13-27-30)23-19-7-3-4-8-20(19)24(29-28-23)31-14-11-18(12-15-31)26-16-17-6-2-5-9-21(17)25;1-16-14-18(23)5-4-17(16)15-27(2)19-9-12-29(13-10-19)22-7-6-20(25-26-22)21-8-11-24-28(21)3/h4-10,13,16,22H,11-12,14-15,17H2,1-3H3;3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3;3-9,12,15,20,27H,10-11,13-14,16H2,1-2H3;3-7,10-11,14,19,27H,8-9,12-13,15H2,1-2H3;2-10,13,18,26H,11-12,14-16H2,1H3;4-8,11,14,19H,9-10,12-13,15H2,1-3H3
InChIKeyZGBPQTBXXCUPHQ-UHFFFAOYSA-N
MW2644.15 g/mol
LogP25.01
Rot. Bonds30

About N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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

N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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 (PubChem CID 162110409) has the molecular formula C148H160F9N37O and a molecular weight of 2644.15 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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
PubChem CID162110409
Molecular FormulaC148H160F9N37O
Molecular Weight2644.15 g/mol
Exact Mass2642.35
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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
SMILESCC(=O)N(Cc1ccc(F)cc1C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(F)cc1C(F)(F)F)C1CCCN(c2nnc(-c3ccnn3C)c3ccccc23)C1.Cc1cc(F)ccc1CN(C)C1CCN(c2ccc(-c3ccnn3C)nn2)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3ccccc3F)CC2)c2ccccc12
InChIInChI=1S/C27H29FN6O.C26H26F4N6.C25H27FN6.C24H26FN7.C24H25FN6.C22H27FN6/c1-18-16-21(28)9-8-20(18)17-34(19(2)35)22-11-14-33(15-12-22)27-24-7-5-4-6-23(24)26(30-31-27)25-10-13-29-32(25)3;1-34(15-17-9-10-18(27)14-22(17)26(28,29)30)19-6-5-13-36(16-19)25-21-8-4-3-7-20(21)24(32-33-25)23-11-12-31-35(23)2;1-17-15-19(26)8-7-18(17)16-27-20-10-13-32(14-11-20)25-22-6-4-3-5-21(22)24(29-30-25)23-9-12-28-31(23)2;1-16-14-18(25)6-5-17(16)15-27-19-8-12-32(13-9-19)24-23-20(4-3-10-26-23)22(29-30-24)21-7-11-28-31(21)2;1-30-22(10-13-27-30)23-19-7-3-4-8-20(19)24(29-28-23)31-14-11-18(12-15-31)26-16-17-6-2-5-9-21(17)25;1-16-14-18(23)5-4-17(16)15-27(2)19-9-12-29(13-10-19)22-7-6-20(25-26-22)21-8-11-24-28(21)3/h4-10,13,16,22H,11-12,14-15,17H2,1-3H3;3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3;3-9,12,15,20,27H,10-11,13-14,16H2,1-2H3;3-7,10-11,14,19,27H,8-9,12-13,15H2,1-2H3;2-10,13,18,26H,11-12,14-16H2,1H3;4-8,11,14,19H,9-10,12-13,15H2,1-3H3
InChIKeyZGBPQTBXXCUPHQ-UHFFFAOYSA-N
XLogP25.01
TPSA356.81 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002644.15
LogP ≤ 525.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

Analyze N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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 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
6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-[(5-ethyl-2-pyridinyl)methyl]-5-fluoropyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-(2-phenylethyl)pyrimidine;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-(pyridin-4-ylmethyl)pyrimidin-4-amine;1-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyrimidine
CID 157265952
(2S)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide
CID 157287413
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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 162110409) is N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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 is CC(=O)N(Cc1ccc(F)cc1C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(F)cc1C(F)(F)F)C1CCCN(c2nnc(-c3ccnn3C)c3ccccc23)C1.Cc1cc(F)ccc1CN(C)C1CCN(c2ccc(-c3ccnn3C)nn2)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3ccccc3F)CC2)c2ccccc12.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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?
The InChIKey is ZGBPQTBXXCUPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O.C26H26F4N6.C25H27FN6.C24H26FN7.C24H25FN6.C22H27FN6/c1-18-16-21(28)9-8-20(18)17-34(19(2)35)22-11-14-33(15-12-22)27-24-7-5-4-6-23(24)26(30-31-27)25-10-13-29-32(25)3;1-34(15-17-9-10-18(27)14-22(17)26(28,29)30)19-6-5-13-36(16-19)25-21-8-4-3-7-20(21)24(32-33-25)23-11-12-31-35(23)2;1-17-15-19(26)8-7-18(17)16-27-20-10-13-32(14-11-20)25-22-6-4-3-5-21(22)24(29-30-25)23-9-12-28-31(23)2;1-16-14-18(25)6-5-17(16)15-27-19-8-12-32(13-9-19)24-23-20(4-3-10-26-23)22(29-30-24)21-7-11-28-31(21)2;1-30-22(10-13-27-30)23-19-7-3-4-8-20(19)24(29-28-23)31-14-11-18(12-15-31)26-16-17-6-2-5-9-21(17)25;1-16-14-18(23)5-4-17(16)15-27(2)19-9-12-29(13-10-19)22-7-6-20(25-26-22)21-8-11-24-28(21)3/h4-10,13,16,22H,11-12,14-15,17H2,1-3H3;3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3;3-9,12,15,20,27H,10-11,13-14,16H2,1-2H3;3-7,10-11,14,19,27H,8-9,12-13,15H2,1-2H3;2-10,13,18,26H,11-12,14-16H2,1H3;4-8,11,14,19H,9-10,12-13,15H2,1-3H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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?
N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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 has a molecular weight of 2644.15 g/mol, XLogP of 25.01, 30 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-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-[(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 is sourced from PubChem (CID 162110409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).