4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine

C149H178F3N29O5S2 — CID 157332612

IUPAC4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
SMILESCNCc1c(C)cccc1-c1ccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)s1.CNCc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1C.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)s1.Cc1cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)cc(C(F)(F)F)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C)C(=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC4)cc23)c1C
InChIInChI=1S/C28H33N5OS.C27H31N5OS.C24H29N5O.C24H31N5O.C23H25F3N4O.C23H29N5/c1-18-6-5-7-23(25(18)17-29-4)27-11-10-26(35-27)20(3)30-28-24-16-21(33-12-14-34-15-13-33)8-9-22(24)19(2)31-32-28;1-18-22-9-8-21(32-12-14-33-15-13-32)16-24(22)27(31-30-18)29-19(2)25-10-11-26(34-25)23-7-5-4-6-20(23)17-28-3;1-15-7-6-8-20(16(15)2)17(3)25-24-22-13-19(9-10-21(22)18(4)26-27-24)29-12-11-28(5)23(30)14-29;1-16-19(15-25-4)6-5-7-21(16)17(2)26-24-23-14-20(29-10-12-30-13-11-29)8-9-22(23)18(3)27-28-24;1-14-10-17(12-18(11-14)23(24,25)26)15(2)27-22-21-13-19(30-6-8-31-9-7-30)4-5-20(21)16(3)28-29-22;1-15-6-5-7-20(16(15)2)17(3)25-23-22-14-19(28-12-10-24-11-13-28)8-9-21(22)18(4)26-27-23/h5-11,16,20,29H,12-15,17H2,1-4H3,(H,30,32);4-11,16,19,28H,12-15,17H2,1-3H3,(H,29,31);6-10,13,17H,11-12,14H2,1-5H3,(H,25,27);5-9,14,17,25H,10-13,15H2,1-4H3,(H,26,28);4-5,10-13,15H,6-9H2,1-3H3,(H,27,29);5-9,14,17,24H,10-13H2,1-4H3,(H,25,27)/t20-;19-;2*17-;15-;17-/m111111/s1
InChIKeyBFLUFQMCXFRWGL-FQYAFPPHSA-N
MW2576.39 g/mol
LogP28.50
Rot. Bonds32

About 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine

4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine (PubChem CID 157332612) has the molecular formula C149H178F3N29O5S2 and a molecular weight of 2576.39 g/mol. Its IUPAC name is 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine.

Molecular Properties

Compound Name4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
PubChem CID157332612
Molecular FormulaC149H178F3N29O5S2
Molecular Weight2576.39 g/mol
Exact Mass2574.40
IUPAC Name4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
SMILESCNCc1c(C)cccc1-c1ccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)s1.CNCc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1C.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)s1.Cc1cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)cc(C(F)(F)F)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C)C(=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC4)cc23)c1C
InChIInChI=1S/C28H33N5OS.C27H31N5OS.C24H29N5O.C24H31N5O.C23H25F3N4O.C23H29N5/c1-18-6-5-7-23(25(18)17-29-4)27-11-10-26(35-27)20(3)30-28-24-16-21(33-12-14-34-15-13-33)8-9-22(24)19(2)31-32-28;1-18-22-9-8-21(32-12-14-33-15-13-32)16-24(22)27(31-30-18)29-19(2)25-10-11-26(34-25)23-7-5-4-6-20(23)17-28-3;1-15-7-6-8-20(16(15)2)17(3)25-24-22-13-19(9-10-21(22)18(4)26-27-24)29-12-11-28(5)23(30)14-29;1-16-19(15-25-4)6-5-7-21(16)17(2)26-24-23-14-20(29-10-12-30-13-11-29)8-9-22(23)18(3)27-28-24;1-14-10-17(12-18(11-14)23(24,25)26)15(2)27-22-21-13-19(30-6-8-31-9-7-30)4-5-20(21)16(3)28-29-22;1-15-6-5-7-20(16(15)2)17(3)25-23-22-14-19(28-12-10-24-11-13-28)8-9-21(22)18(4)26-27-23/h5-11,16,20,29H,12-15,17H2,1-4H3,(H,30,32);4-11,16,19,28H,12-15,17H2,1-3H3,(H,29,31);6-10,13,17H,11-12,14H2,1-5H3,(H,25,27);5-9,14,17,25H,10-13,15H2,1-4H3,(H,26,28);4-5,10-13,15H,6-9H2,1-3H3,(H,27,29);5-9,14,17,24H,10-13H2,1-4H3,(H,25,27)/t20-;19-;2*17-;15-;17-/m111111/s1
InChIKeyBFLUFQMCXFRWGL-FQYAFPPHSA-N
XLogP28.50
TPSA351.65 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002576.39
LogP ≤ 528.50
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine with MolForge

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Related Compounds

methyl-[[2-[5-[(1R)-1-[[7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-yl]amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamic acid
CID 156495953
methyl N-[[2-[5-[1-[[7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-yl]amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate
CID 156495957
Methyl-[[2-[5-[1-[[7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-yl]amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamic acid
CID 156495958
tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[[7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-yl]amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate
CID 156527538
4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
CID 159012478
7-(6,6-difluoro-1,4-diazepan-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperidin-1-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-3-methylmorpholin-4-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-amine
CID 160217769
N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-(trifluoromethyl)phthalazin-1-amine;N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4-ethyl-6,7-dimethylphthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-4-propan-2-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine;4,6,7-trimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;4,6,7-trimethyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine
CID 160397156
cyclopropyl-[4-[4-[[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]methanone;N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 161385468
tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[[7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-yl]amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-amine
CID 161903128
cyclopropyl-[4-[4-[[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]methanone;N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine
CID 161986248
7-(6,6-difluoro-1,4-diazepan-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperidin-1-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-3-methylmorpholin-4-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperidin-4-ylphthalazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-amine
CID 167582829
7-N,7-N-dimethyl-1-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]piperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-methylpiperazin-1-yl)phthalazin-1-amine;1-[4-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]phthalazin-6-yl]piperazin-2-one;4-[4-[[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]phthalazin-6-yl]piperazin-2-one;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
CID 160427881

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
The IUPAC name of 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine (CID 157332612) is 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine.
What is the SMILES notation for 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
The canonical SMILES for 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine is CNCc1c(C)cccc1-c1ccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)s1.CNCc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1C.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)s1.Cc1cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)cc(C(F)(F)F)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C)C(=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC4)cc23)c1C.
What is the InChIKey of 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
The InChIKey is BFLUFQMCXFRWGL-FQYAFPPHSA-N. The full InChI is InChI=1S/C28H33N5OS.C27H31N5OS.C24H29N5O.C24H31N5O.C23H25F3N4O.C23H29N5/c1-18-6-5-7-23(25(18)17-29-4)27-11-10-26(35-27)20(3)30-28-24-16-21(33-12-14-34-15-13-33)8-9-22(24)19(2)31-32-28;1-18-22-9-8-21(32-12-14-33-15-13-32)16-24(22)27(31-30-18)29-19(2)25-10-11-26(34-25)23-7-5-4-6-20(23)17-28-3;1-15-7-6-8-20(16(15)2)17(3)25-24-22-13-19(9-10-21(22)18(4)26-27-24)29-12-11-28(5)23(30)14-29;1-16-19(15-25-4)6-5-7-21(16)17(2)26-24-23-14-20(29-10-12-30-13-11-29)8-9-22(23)18(3)27-28-24;1-14-10-17(12-18(11-14)23(24,25)26)15(2)27-22-21-13-19(30-6-8-31-9-7-30)4-5-20(21)16(3)28-29-22;1-15-6-5-7-20(16(15)2)17(3)25-23-22-14-19(28-12-10-24-11-13-28)8-9-21(22)18(4)26-27-23/h5-11,16,20,29H,12-15,17H2,1-4H3,(H,30,32);4-11,16,19,28H,12-15,17H2,1-3H3,(H,29,31);6-10,13,17H,11-12,14H2,1-5H3,(H,25,27);5-9,14,17,25H,10-13,15H2,1-4H3,(H,26,28);4-5,10-13,15H,6-9H2,1-3H3,(H,27,29);5-9,14,17,24H,10-13H2,1-4H3,(H,25,27)/t20-;19-;2*17-;15-;17-/m111111/s1.
What are the key properties of 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine has a molecular weight of 2576.39 g/mol, XLogP of 28.50, 32 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine is sourced from PubChem (CID 157332612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).