N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine

C153H182F3N27OS4 — CID 159207239

IUPACN-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine
SMILESCCc1nnc(NC(C)c2ccc(-c3ccccc3CN(C)C)s2)c2cc(C)c(C)cc12.CNCc1cccc([C@@H](C)Nc2nnc(C)c3cc(C)c(C)cc23)c1C.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)s1.Cc1cc2c(N[C@H](C)c3ccc(-c4ccccc4CN(C)C)s3)nnc(C(C)C)c2cc1C.Cc1cc2c(N[C@H](C)c3ccc(-c4ccccc4CN(C)C)s3)nnc(C(F)(F)F)c2cc1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C)CC4)cc23)c1C
InChIInChI=1S/C28H34N4S.C27H32N4S.C26H27F3N4S.C26H30N6OS.C24H31N5.C22H28N4/c1-17(2)27-23-14-18(3)19(4)15-24(23)28(31-30-27)29-20(5)25-12-13-26(33-25)22-11-9-8-10-21(22)16-32(6)7;1-7-24-22-14-17(2)18(3)15-23(22)27(30-29-24)28-19(4)25-12-13-26(32-25)21-11-9-8-10-20(21)16-31(5)6;1-15-12-20-21(13-16(15)2)25(32-31-24(20)26(27,28)29)30-17(3)22-10-11-23(34-22)19-9-7-6-8-18(19)14-33(4)5;1-17-22-16-28-25(32-10-12-33-13-11-32)14-21(22)26(31-30-17)29-18(2)23-8-9-24(34-23)20-7-5-4-6-19(20)15-27-3;1-16-7-6-8-21(17(16)2)18(3)25-24-23-15-20(29-13-11-28(5)12-14-29)9-10-22(23)19(4)26-27-24;1-13-10-20-17(5)25-26-22(21(20)11-14(13)2)24-16(4)19-9-7-8-18(12-23-6)15(19)3/h8-15,17,20H,16H2,1-7H3,(H,29,31);8-15,19H,7,16H2,1-6H3,(H,28,30);6-13,17H,14H2,1-5H3,(H,30,32);4-9,14,16,18,27H,10-13,15H2,1-3H3,(H,29,31);6-10,15,18H,11-14H2,1-5H3,(H,25,27);7-11,16,23H,12H2,1-6H3,(H,24,26)/t20-;;17-;2*18-;16-/m1.1111/s1
InChIKeyKQAPBZAAIMIWHG-YSLXNNPQSA-N
MW2600.59 g/mol
LogP35.36
Rot. Bonds36

About N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine

N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine (PubChem CID 159207239) has the molecular formula C153H182F3N27OS4 and a molecular weight of 2600.59 g/mol. Its IUPAC name is N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine
PubChem CID159207239
Molecular FormulaC153H182F3N27OS4
Molecular Weight2600.59 g/mol
Exact Mass2598.39
IUPAC NameN-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine
SMILESCCc1nnc(NC(C)c2ccc(-c3ccccc3CN(C)C)s2)c2cc(C)c(C)cc12.CNCc1cccc([C@@H](C)Nc2nnc(C)c3cc(C)c(C)cc23)c1C.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)s1.Cc1cc2c(N[C@H](C)c3ccc(-c4ccccc4CN(C)C)s3)nnc(C(C)C)c2cc1C.Cc1cc2c(N[C@H](C)c3ccc(-c4ccccc4CN(C)C)s3)nnc(C(F)(F)F)c2cc1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C)CC4)cc23)c1C
InChIInChI=1S/C28H34N4S.C27H32N4S.C26H27F3N4S.C26H30N6OS.C24H31N5.C22H28N4/c1-17(2)27-23-14-18(3)19(4)15-24(23)28(31-30-27)29-20(5)25-12-13-26(33-25)22-11-9-8-10-21(22)16-32(6)7;1-7-24-22-14-17(2)18(3)15-23(22)27(30-29-24)28-19(4)25-12-13-26(32-25)21-11-9-8-10-20(21)16-31(5)6;1-15-12-20-21(13-16(15)2)25(32-31-24(20)26(27,28)29)30-17(3)22-10-11-23(34-22)19-9-7-6-8-18(19)14-33(4)5;1-17-22-16-28-25(32-10-12-33-13-11-32)14-21(22)26(31-30-17)29-18(2)23-8-9-24(34-23)20-7-5-4-6-19(20)15-27-3;1-16-7-6-8-21(17(16)2)18(3)25-24-23-15-20(29-13-11-28(5)12-14-29)9-10-22(23)19(4)26-27-24;1-13-10-20-17(5)25-26-22(21(20)11-14(13)2)24-16(4)19-9-7-8-18(12-23-6)15(19)3/h8-15,17,20H,16H2,1-7H3,(H,29,31);8-15,19H,7,16H2,1-6H3,(H,28,30);6-13,17H,14H2,1-5H3,(H,30,32);4-9,14,16,18,27H,10-13,15H2,1-3H3,(H,29,31);6-10,15,18H,11-14H2,1-5H3,(H,25,27);7-11,16,23H,12H2,1-6H3,(H,24,26)/t20-;;17-;2*18-;16-/m1.1111/s1
InChIKeyKQAPBZAAIMIWHG-YSLXNNPQSA-N
XLogP35.36
TPSA292.48 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002600.59
LogP ≤ 535.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine with MolForge

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Related Compounds

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
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
5-[1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161297990
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
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
3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline
CID 165051058
N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-8-[[4-(methylaminomethyl)-3-[5-[(1R)-1-[(8-methyl-3-morpholin-4-ylpyrido[2,3-d]pyridazin-5-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]-3-morpholin-4-ylpyrido[2,3-d]pyridazin-5-amine
CID 170110246
N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-8-[[4-(methylaminomethyl)-3-[5-[(1R)-1-[[8-methyl-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[2,3-d]pyridazin-5-yl]amino]ethyl]thiophen-3-yl]phenyl]methyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[2,3-d]pyridazin-5-amine
CID 170110438
8-[[4-[(dimethylamino)methyl]-3-[5-[(1R)-1-[[8-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyridazin-5-yl]amino]ethyl]thiophen-2-yl]phenyl]methyl]-N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyridazin-5-amine
CID 170110682
4-N-[(R)-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]-[(7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]methyl]-1-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-piperazin-1-ylpyrido[3,4-d]pyridazine-1,4-diamine
CID 170268741
5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172949020
N-(8-cyclopentyl-5-methylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-N-(2-methoxyethyl)-1-N-methyl-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine;1-(4-methylpiperazin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5-methyl-8-thiophen-3-ylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-pyrrolidin-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1,3,4-trimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 157467882

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine?
The IUPAC name of N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine (CID 159207239) is N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine.
What is the SMILES notation for N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine?
The canonical SMILES for N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine is CCc1nnc(NC(C)c2ccc(-c3ccccc3CN(C)C)s2)c2cc(C)c(C)cc12.CNCc1cccc([C@@H](C)Nc2nnc(C)c3cc(C)c(C)cc23)c1C.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)s1.Cc1cc2c(N[C@H](C)c3ccc(-c4ccccc4CN(C)C)s3)nnc(C(C)C)c2cc1C.Cc1cc2c(N[C@H](C)c3ccc(-c4ccccc4CN(C)C)s3)nnc(C(F)(F)F)c2cc1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C)CC4)cc23)c1C.
What is the InChIKey of N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine?
The InChIKey is KQAPBZAAIMIWHG-YSLXNNPQSA-N. The full InChI is InChI=1S/C28H34N4S.C27H32N4S.C26H27F3N4S.C26H30N6OS.C24H31N5.C22H28N4/c1-17(2)27-23-14-18(3)19(4)15-24(23)28(31-30-27)29-20(5)25-12-13-26(33-25)22-11-9-8-10-21(22)16-32(6)7;1-7-24-22-14-17(2)18(3)15-23(22)27(30-29-24)28-19(4)25-12-13-26(32-25)21-11-9-8-10-20(21)16-31(5)6;1-15-12-20-21(13-16(15)2)25(32-31-24(20)26(27,28)29)30-17(3)22-10-11-23(34-22)19-9-7-6-8-18(19)14-33(4)5;1-17-22-16-28-25(32-10-12-33-13-11-32)14-21(22)26(31-30-17)29-18(2)23-8-9-24(34-23)20-7-5-4-6-19(20)15-27-3;1-16-7-6-8-21(17(16)2)18(3)25-24-23-15-20(29-13-11-28(5)12-14-29)9-10-22(23)19(4)26-27-24;1-13-10-20-17(5)25-26-22(21(20)11-14(13)2)24-16(4)19-9-7-8-18(12-23-6)15(19)3/h8-15,17,20H,16H2,1-7H3,(H,29,31);8-15,19H,7,16H2,1-6H3,(H,28,30);6-13,17H,14H2,1-5H3,(H,30,32);4-9,14,16,18,27H,10-13,15H2,1-3H3,(H,29,31);6-10,15,18H,11-14H2,1-5H3,(H,25,27);7-11,16,23H,12H2,1-6H3,(H,24,26)/t20-;;17-;2*18-;16-/m1.1111/s1.
What are the key properties of N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine?
N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine has a molecular weight of 2600.59 g/mol, XLogP of 35.36, 36 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;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;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-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;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine is sourced from PubChem (CID 159207239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).