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

C138H142F20N44 — CID 158539276

IUPACN-[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
SMILESCN(c1ncc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.CN(c1ncc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)c3ncc(F)cc3C(F)(F)F)CC2)c1C.Cc1cnncc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(Nc3ncc(F)cc3C(F)(F)F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(Nc3ncc(F)cc3C(F)(F)F)CC2)c2cnccc12
InChIInChI=1S/C24H23F4N7.C24H28N8.C23H25F4N7.C23H21F4N7.C22H20F4N8.C22H25F4N7/c1-33(23-19(24(26,27)28)13-15(25)14-29-23)16-8-11-35(12-9-16)22-18-6-4-3-5-17(18)21(31-32-22)20-7-10-30-34(20)2;1-17-14-25-26-15-18(17)16-30(2)19-9-12-32(13-10-19)24-21-7-5-4-6-20(21)23(28-29-24)22-8-11-27-31(22)3;1-32(22-18(23(25,26)27)12-14(24)13-28-22)15-7-10-34(11-8-15)21-17-5-3-4-16(17)20(30-31-21)19-6-9-29-33(19)2;1-33-19(6-9-29-33)20-16-4-2-3-5-17(16)22(32-31-20)34-10-7-15(8-11-34)30-21-18(23(25,26)27)12-14(24)13-28-21;1-33-18(3-7-29-33)19-15-2-6-27-12-16(15)21(32-31-19)34-8-4-14(5-9-34)30-20-17(22(24,25)26)10-13(23)11-28-20;1-13-14(2)20(30-29-19(13)18-5-8-28-32(18)4)33-9-6-16(7-10-33)31(3)21-17(22(24,25)26)11-15(23)12-27-21/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3;4-8,11,14-15,19H,9-10,12-13,16H2,1-3H3;6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3;2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,28,30);2-3,6-7,10-12,14H,4-5,8-9H2,1H3,(H,28,30);5,8,11-12,16H,6-7,9-10H2,1-4H3
InChIKeyHOHYSZWYMWBXIR-UHFFFAOYSA-N
MW2796.92 g/mol
LogP24.82
Rot. Bonds25

About 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

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 (PubChem CID 158539276) has the molecular formula C138H142F20N44 and a molecular weight of 2796.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158539276
Molecular FormulaC138H142F20N44
Molecular Weight2796.92 g/mol
Exact Mass2795.21
IUPAC NameN-[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
SMILESCN(c1ncc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.CN(c1ncc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)c3ncc(F)cc3C(F)(F)F)CC2)c1C.Cc1cnncc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(Nc3ncc(F)cc3C(F)(F)F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(Nc3ncc(F)cc3C(F)(F)F)CC2)c2cnccc12
InChIInChI=1S/C24H23F4N7.C24H28N8.C23H25F4N7.C23H21F4N7.C22H20F4N8.C22H25F4N7/c1-33(23-19(24(26,27)28)13-15(25)14-29-23)16-8-11-35(12-9-16)22-18-6-4-3-5-17(18)21(31-32-22)20-7-10-30-34(20)2;1-17-14-25-26-15-18(17)16-30(2)19-9-12-32(13-10-19)24-21-7-5-4-6-20(21)23(28-29-24)22-8-11-27-31(22)3;1-32(22-18(23(25,26)27)12-14(24)13-28-22)15-7-10-34(11-8-15)21-17-5-3-4-16(17)20(30-31-21)19-6-9-29-33(19)2;1-33-19(6-9-29-33)20-16-4-2-3-5-17(16)22(32-31-20)34-10-7-15(8-11-34)30-21-18(23(25,26)27)12-14(24)13-28-21;1-33-18(3-7-29-33)19-15-2-6-27-12-16(15)21(32-31-19)34-8-4-14(5-9-34)30-20-17(22(24,25)26)10-13(23)11-28-20;1-13-14(2)20(30-29-19(13)18-5-8-28-32(18)4)33-9-6-16(7-10-33)31(3)21-17(22(24,25)26)11-15(23)12-27-21/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3;4-8,11,14-15,19H,9-10,12-13,16H2,1-3H3;6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3;2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,28,30);2-3,6-7,10-12,14H,4-5,8-9H2,1H3,(H,28,30);5,8,11-12,16H,6-7,9-10H2,1-4H3
InChIKeyHOHYSZWYMWBXIR-UHFFFAOYSA-N
XLogP24.82
TPSA421.18 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds25
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002796.92
LogP ≤ 524.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Analyze 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 with MolForge

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine
CID 86344827
5-fluoro-N-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 117727255
N-[[6-fluoro-4-(trifluoromethyl)pyridin-3-yl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 117727274
5-fluoro-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 117727324
N-[[4-fluoro-6-(trifluoromethyl)pyridin-3-yl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 121298947
N-methyl-N-[[6-[1-methyl-5-[4-[4-[methyl-[[5-(trifluoromethyl)pyrimidin-4-yl]methyl]amino]piperidin-1-yl]phthalazin-1-yl]pyrazol-3-yl]-4-(trifluoromethyl)pyridazin-3-yl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 123724705
4-[3-[3-[(4-fluorophenyl)methyl]-1-methylpyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-[2-methyl-5-[1-[2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]triazol-4-yl]phenyl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 123831832
2-fluoro-4-[6-[2-[(3-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035489
(NE)-N-[1-[6-[4-[[(1R)-1-[6-[4-[(2S)-2-amino-2-[6-[1-[6-(trifluoromethyl)pyridin-2-yl]indazol-6-yl]pyridin-2-yl]ethyl]-1-[6-(trifluoromethyl)pyridin-2-yl]indazol-6-yl]pyridin-2-yl]ethyl]amino]-1-[6-(trifluoromethyl)pyridin-2-yl]indazol-6-yl]pyridin-2-yl]ethylidene]hydroxylamine
CID 137243942
N-[3-[2-[1-[[2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]-5-[5-(propan-2-ylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137246347
1-[(4R,5S)-5-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[(4R,5S)-5-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methyl-1-quinolin-4-ylpiperidin-2-yl]-4-methylpiperidin-1-yl]-8-methylisoquinoline
CID 142341233
N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[[4-[3-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl]piperazin-1-yl]methyl]pyrazolo[3,4-b]pyridin-3-amine
CID 142858431

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ncc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.CN(c1ncc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)c3ncc(F)cc3C(F)(F)F)CC2)c1C.Cc1cnncc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(Nc3ncc(F)cc3C(F)(F)F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(Nc3ncc(F)cc3C(F)(F)F)CC2)c2cnccc12.
What is the InChIKey of 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?
The InChIKey is HOHYSZWYMWBXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7.C24H28N8.C23H25F4N7.C23H21F4N7.C22H20F4N8.C22H25F4N7/c1-33(23-19(24(26,27)28)13-15(25)14-29-23)16-8-11-35(12-9-16)22-18-6-4-3-5-17(18)21(31-32-22)20-7-10-30-34(20)2;1-17-14-25-26-15-18(17)16-30(2)19-9-12-32(13-10-19)24-21-7-5-4-6-20(21)23(28-29-24)22-8-11-27-31(22)3;1-32(22-18(23(25,26)27)12-14(24)13-28-22)15-7-10-34(11-8-15)21-17-5-3-4-16(17)20(30-31-21)19-6-9-29-33(19)2;1-33-19(6-9-29-33)20-16-4-2-3-5-17(16)22(32-31-20)34-10-7-15(8-11-34)30-21-18(23(25,26)27)12-14(24)13-28-21;1-33-18(3-7-29-33)19-15-2-6-27-12-16(15)21(32-31-19)34-8-4-14(5-9-34)30-20-17(22(24,25)26)10-13(23)11-28-20;1-13-14(2)20(30-29-19(13)18-5-8-28-32(18)4)33-9-6-16(7-10-33)31(3)21-17(22(24,25)26)11-15(23)12-27-21/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3;4-8,11,14-15,19H,9-10,12-13,16H2,1-3H3;6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3;2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,28,30);2-3,6-7,10-12,14H,4-5,8-9H2,1H3,(H,28,30);5,8,11-12,16H,6-7,9-10H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2796.92 g/mol, XLogP of 24.82, 25 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158539276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).