N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine

C169H188N38O4S6 — CID 160604807

IUPACN-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine
SMILESCNCc1ccccc1-c1ccc([C@@H](C)Nc2nncc3cnc(N4CCOCC4)cc23)s1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(C)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(N4CCNC(=O)C4)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(N4CCNCC4=O)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(N4CCOCC4)cc23)c1.Cc1cc2c(C)nnc(NC(C)c3ccc(-c4ccccc4CN(C)C)s3)c2cc1C.Cc1cc2c(C)nnc(N[C@H](C)c3cccc(C)c3C)c2cc1C
InChIInChI=1S/C26H30N4S.2C25H27N7OS.2C25H28N6OS.C22H23N5S.C21H25N3/c1-16-13-22-18(3)28-29-26(23(22)14-17(16)2)27-19(4)24-11-12-25(31-24)21-10-8-7-9-20(21)15-30(5)6;1-16(22-9-18(15-34-22)20-6-4-3-5-17(20)11-26-2)30-25-21-10-23(28-12-19(21)13-29-31-25)32-8-7-27-24(33)14-32;1-16(22-9-18(15-34-22)20-6-4-3-5-17(20)11-26-2)30-25-21-10-23(28-12-19(21)13-29-31-25)32-8-7-27-14-24(32)33;1-17(23-11-19(16-33-23)21-6-4-3-5-18(21)13-26-2)29-25-22-12-24(31-7-9-32-10-8-31)27-14-20(22)15-28-30-25;1-17(22-7-8-23(33-22)20-6-4-3-5-18(20)14-26-2)29-25-21-13-24(31-9-11-32-12-10-31)27-15-19(21)16-28-30-25;1-14-8-20-18(11-24-14)12-25-27-22(20)26-15(2)21-9-17(13-28-21)19-7-5-4-6-16(19)10-23-3;1-12-8-7-9-18(15(12)4)16(5)22-21-20-11-14(3)13(2)10-19(20)17(6)23-24-21/h7-14,19H,15H2,1-6H3,(H,27,29);3-6,9-10,12-13,15-16,26H,7-8,11,14H2,1-2H3,(H,27,33)(H,30,31);3-6,9-10,12-13,15-16,26-27H,7-8,11,14H2,1-2H3,(H,30,31);3-6,11-12,14-17,26H,7-10,13H2,1-2H3,(H,29,30);3-8,13,15-17,26H,9-12,14H2,1-2H3,(H,29,30);4-9,11-13,15,23H,10H2,1-3H3,(H,26,27);7-11,16H,1-6H3,(H,22,24)/t;2*16-;2*17-;15-;16-/m.111111/s1
InChIKeyRESVUBALJMHAKA-SERHPEHASA-N
MW3008.03 g/mol
LogP32.95
Rot. Bonds43

About N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine

N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine (PubChem CID 160604807) has the molecular formula C169H188N38O4S6 and a molecular weight of 3008.03 g/mol. Its IUPAC name is N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound NameN-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine
PubChem CID160604807
Molecular FormulaC169H188N38O4S6
Molecular Weight3008.03 g/mol
Exact Mass3005.40
IUPAC NameN-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine
SMILESCNCc1ccccc1-c1ccc([C@@H](C)Nc2nncc3cnc(N4CCOCC4)cc23)s1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(C)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(N4CCNC(=O)C4)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(N4CCNCC4=O)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(N4CCOCC4)cc23)c1.Cc1cc2c(C)nnc(NC(C)c3ccc(-c4ccccc4CN(C)C)s3)c2cc1C.Cc1cc2c(C)nnc(N[C@H](C)c3cccc(C)c3C)c2cc1C
InChIInChI=1S/C26H30N4S.2C25H27N7OS.2C25H28N6OS.C22H23N5S.C21H25N3/c1-16-13-22-18(3)28-29-26(23(22)14-17(16)2)27-19(4)24-11-12-25(31-24)21-10-8-7-9-20(21)15-30(5)6;1-16(22-9-18(15-34-22)20-6-4-3-5-17(20)11-26-2)30-25-21-10-23(28-12-19(21)13-29-31-25)32-8-7-27-24(33)14-32;1-16(22-9-18(15-34-22)20-6-4-3-5-17(20)11-26-2)30-25-21-10-23(28-12-19(21)13-29-31-25)32-8-7-27-14-24(32)33;1-17(23-11-19(16-33-23)21-6-4-3-5-18(21)13-26-2)29-25-22-12-24(31-7-9-32-10-8-31)27-14-20(22)15-28-30-25;1-17(22-7-8-23(33-22)20-6-4-3-5-18(20)14-26-2)29-25-21-13-24(31-9-11-32-12-10-31)27-15-19(21)16-28-30-25;1-14-8-20-18(11-24-14)12-25-27-22(20)26-15(2)21-9-17(13-28-21)19-7-5-4-6-16(19)10-23-3;1-12-8-7-9-18(15(12)4)16(5)22-21-20-11-14(3)13(2)10-19(20)17(6)23-24-21/h7-14,19H,15H2,1-6H3,(H,27,29);3-6,9-10,12-13,15-16,26H,7-8,11,14H2,1-2H3,(H,27,33)(H,30,31);3-6,9-10,12-13,15-16,26-27H,7-8,11,14H2,1-2H3,(H,30,31);3-6,11-12,14-17,26H,7-10,13H2,1-2H3,(H,29,30);3-8,13,15-17,26H,9-12,14H2,1-2H3,(H,29,30);4-9,11-13,15,23H,10H2,1-3H3,(H,26,27);7-11,16H,1-6H3,(H,22,24)/t;2*16-;2*17-;15-;16-/m.111111/s1
InChIKeyRESVUBALJMHAKA-SERHPEHASA-N
XLogP32.95
TPSA482.13 Ų
H-Bond Donors14
H-Bond Acceptors46
Rotatable Bonds43
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003008.03
LogP ≤ 532.95
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1046

Analyze N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-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-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
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
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
N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;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
CID 157929757
7-[(1S,5S)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]-N,N-dimethylazetidine-3-carboxamide;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;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
CID 158663398
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
tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 162045574
6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]piperazin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6,7-dimethylphthalazin-1-amine;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-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
CID 167612645

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine (CID 160604807) is N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine is CNCc1ccccc1-c1ccc([C@@H](C)Nc2nncc3cnc(N4CCOCC4)cc23)s1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(C)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(N4CCNC(=O)C4)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(N4CCNCC4=O)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cnc(N4CCOCC4)cc23)c1.Cc1cc2c(C)nnc(NC(C)c3ccc(-c4ccccc4CN(C)C)s3)c2cc1C.Cc1cc2c(C)nnc(N[C@H](C)c3cccc(C)c3C)c2cc1C.
What is the InChIKey of N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine?
The InChIKey is RESVUBALJMHAKA-SERHPEHASA-N. The full InChI is InChI=1S/C26H30N4S.2C25H27N7OS.2C25H28N6OS.C22H23N5S.C21H25N3/c1-16-13-22-18(3)28-29-26(23(22)14-17(16)2)27-19(4)24-11-12-25(31-24)21-10-8-7-9-20(21)15-30(5)6;1-16(22-9-18(15-34-22)20-6-4-3-5-17(20)11-26-2)30-25-21-10-23(28-12-19(21)13-29-31-25)32-8-7-27-24(33)14-32;1-16(22-9-18(15-34-22)20-6-4-3-5-17(20)11-26-2)30-25-21-10-23(28-12-19(21)13-29-31-25)32-8-7-27-14-24(32)33;1-17(23-11-19(16-33-23)21-6-4-3-5-18(21)13-26-2)29-25-22-12-24(31-7-9-32-10-8-31)27-14-20(22)15-28-30-25;1-17(22-7-8-23(33-22)20-6-4-3-5-18(20)14-26-2)29-25-21-13-24(31-9-11-32-12-10-31)27-15-19(21)16-28-30-25;1-14-8-20-18(11-24-14)12-25-27-22(20)26-15(2)21-9-17(13-28-21)19-7-5-4-6-16(19)10-23-3;1-12-8-7-9-18(15(12)4)16(5)22-21-20-11-14(3)13(2)10-19(20)17(6)23-24-21/h7-14,19H,15H2,1-6H3,(H,27,29);3-6,9-10,12-13,15-16,26H,7-8,11,14H2,1-2H3,(H,27,33)(H,30,31);3-6,9-10,12-13,15-16,26-27H,7-8,11,14H2,1-2H3,(H,30,31);3-6,11-12,14-17,26H,7-10,13H2,1-2H3,(H,29,30);3-8,13,15-17,26H,9-12,14H2,1-2H3,(H,29,30);4-9,11-13,15,23H,10H2,1-3H3,(H,26,27);7-11,16H,1-6H3,(H,22,24)/t;2*16-;2*17-;15-;16-/m.111111/s1.
What are the key properties of N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine?
N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 3008.03 g/mol, XLogP of 32.95, 43 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4,6,7-trimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4,6,7-trimethylphthalazin-1-amine;1-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;4-[1-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-2-one;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;7-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 160604807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).