7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine

C145H174F12N28O2 — CID 167663209

IUPAC7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CCOCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCNCC4)cc23)c1C
InChIInChI=1S/C26H32F3N5.2C24H27F3N4O.2C24H30FN5.C23H28FN5/c1-15-9-8-10-19(16(15)2)17(3)30-24-21-12-23(34-13-25(5,14-34)33(6)7)22(26(27,28)29)11-20(21)18(4)31-32-24;1-13-7-6-8-17(14(13)2)15(3)28-22-19-10-21(31-11-23(5,32)12-31)20(24(25,26)27)9-18(19)16(4)29-30-22;1-14-6-5-7-18(15(14)2)16(3)28-23-20-13-22(31-8-10-32-11-9-31)21(24(25,26)27)12-19(20)17(4)29-30-23;2*1-15-7-6-8-19(16(15)2)17(3)26-24-21-14-23(30-11-9-29(5)10-12-30)22(25)13-20(21)18(4)27-28-24;1-14-6-5-7-18(15(14)2)16(3)26-23-20-13-22(29-10-8-25-9-11-29)21(24)12-19(20)17(4)27-28-23/h8-12,17H,13-14H2,1-7H3,(H,30,32);6-10,15,32H,11-12H2,1-5H3,(H,28,30);5-7,12-13,16H,8-11H2,1-4H3,(H,28,30);2*6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);5-7,12-13,16,25H,8-11H2,1-4H3,(H,26,28)/t17-;15-;16-;2*17-;16-/m111111/s1
InChIKeySGDOOPGILJVINH-ZAKBKGQMSA-N
MW2569.16 g/mol
LogP30.30
Rot. Bonds25

About 7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine

7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine (PubChem CID 167663209) has the molecular formula C145H174F12N28O2 and a molecular weight of 2569.16 g/mol. Its IUPAC name is 7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine.

Molecular Properties

Compound Name7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine
PubChem CID167663209
Molecular FormulaC145H174F12N28O2
Molecular Weight2569.16 g/mol
Exact Mass2567.42
IUPAC Name7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CCOCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCNCC4)cc23)c1C
InChIInChI=1S/C26H32F3N5.2C24H27F3N4O.2C24H30FN5.C23H28FN5/c1-15-9-8-10-19(16(15)2)17(3)30-24-21-12-23(34-13-25(5,14-34)33(6)7)22(26(27,28)29)11-20(21)18(4)31-32-24;1-13-7-6-8-17(14(13)2)15(3)28-22-19-10-21(31-11-23(5,32)12-31)20(24(25,26)27)9-18(19)16(4)29-30-22;1-14-6-5-7-18(15(14)2)16(3)28-23-20-13-22(31-8-10-32-11-9-31)21(24(25,26)27)12-19(20)17(4)29-30-23;2*1-15-7-6-8-19(16(15)2)17(3)26-24-21-14-23(30-11-9-29(5)10-12-30)22(25)13-20(21)18(4)27-28-24;1-14-6-5-7-18(15(14)2)16(3)26-23-20-13-22(29-10-8-25-9-11-29)21(24)12-19(20)17(4)27-28-23/h8-12,17H,13-14H2,1-7H3,(H,30,32);6-10,15,32H,11-12H2,1-5H3,(H,28,30);5-7,12-13,16H,8-11H2,1-4H3,(H,28,30);2*6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);5-7,12-13,16,25H,8-11H2,1-4H3,(H,26,28)/t17-;15-;16-;2*17-;16-/m111111/s1
InChIKeySGDOOPGILJVINH-ZAKBKGQMSA-N
XLogP30.30
TPSA297.51 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002569.16
LogP ≤ 530.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine with MolForge

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Related Compounds

US11702418, Example 10-86
CID 156527097
7-(6,6-difluoroazepan-4-yl)-4-[(3R)-3-[[4-methyl-7-[(3S)-3-methylmorpholin-4-yl]phthalazin-1-yl]amino]-3-[2-methyl-3-(trifluoromethyl)phenyl]propyl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 156526616
N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine
CID 157369846
7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine
CID 158460124
7-[4-(3,3-difluoropyrrolidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine)
CID 158500529
bis([4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone);4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-piperazin-1-ylphthalazin-1-amine;oxetane-3-carboxylic acid
CID 158514975
7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine
CID 158675624
7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[4-(3,3-difluoropyrrolidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]azetidin-3-ol;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-N,7-N,4-trimethylphthalazine-1,7-diamine
CID 160341231
sodium;N-[(1R)-1-[5-amino-2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-[5-fluoro-2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;4-methyl-3-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]-5-(trifluoromethyl)benzenediazonium;nitrite;tetrafluoroborate
CID 160814003
7-(6,6-difluoroazepan-4-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-3-methylmorpholin-4-yl]phthalazin-1-amine
CID 162026662
7-(6,6-difluoro-1,4-diazepan-1-yl)-4-[(3R)-3-[[4-methyl-7-[(3S)-3-methylmorpholin-4-yl]phthalazin-1-yl]amino]-3-[2-methyl-3-(trifluoromethyl)phenyl]propyl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 167227418
N-[(1R)-1-[5-amino-2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phthalazin-1-amine
CID 176638188

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine?
The IUPAC name of 7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine (CID 167663209) is 7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine.
What is the SMILES notation for 7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine?
The canonical SMILES for 7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine is Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CCOCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCNCC4)cc23)c1C.
What is the InChIKey of 7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine?
The InChIKey is SGDOOPGILJVINH-ZAKBKGQMSA-N. The full InChI is InChI=1S/C26H32F3N5.2C24H27F3N4O.2C24H30FN5.C23H28FN5/c1-15-9-8-10-19(16(15)2)17(3)30-24-21-12-23(34-13-25(5,14-34)33(6)7)22(26(27,28)29)11-20(21)18(4)31-32-24;1-13-7-6-8-17(14(13)2)15(3)28-22-19-10-21(31-11-23(5,32)12-31)20(24(25,26)27)9-18(19)16(4)29-30-22;1-14-6-5-7-18(15(14)2)16(3)28-23-20-13-22(31-8-10-32-11-9-31)21(24(25,26)27)12-19(20)17(4)29-30-23;2*1-15-7-6-8-19(16(15)2)17(3)26-24-21-14-23(30-11-9-29(5)10-12-30)22(25)13-20(21)18(4)27-28-24;1-14-6-5-7-18(15(14)2)16(3)26-23-20-13-22(29-10-8-25-9-11-29)21(24)12-19(20)17(4)27-28-23/h8-12,17H,13-14H2,1-7H3,(H,30,32);6-10,15,32H,11-12H2,1-5H3,(H,28,30);5-7,12-13,16H,8-11H2,1-4H3,(H,28,30);2*6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);5-7,12-13,16,25H,8-11H2,1-4H3,(H,26,28)/t17-;15-;16-;2*17-;16-/m111111/s1.
What are the key properties of 7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine?
7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine has a molecular weight of 2569.16 g/mol, XLogP of 30.30, 25 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine is sourced from PubChem (CID 167663209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).