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

C144H160N28O4S4 — CID 167612645

About 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

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 (PubChem CID 167612645) has the molecular formula C144H160N28O4S4 and a molecular weight of 2475.32 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167612645
• Molecular Formula: C144H160N28O4S4
• Molecular Weight: 2475.32 g/mol
• Exact Mass: 2473.21
• IUPAC Name: 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
• SMILES: CNCc1ccccc1-c1ccc(C(C)Nc2nncc3ccc(N4CCOCC4)cc23)s1.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nncc3ccc(N4CCNC(=O)C4)cc23)s1.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nncc3ccc(N4CCOCC4)cc23)s1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cc(C)c(C)cc23)c1.Cc1cc2cnnc(N[C@H](C)c3cccc(C)c3C)c2cc1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCNC(=O)C4)cc23)c1C
• InChI: InChI=1S/C26H28N6OS.2C26H29N5OS.C24H26N4S.C22H25N5O.C20H23N3/c1-17(23-9-10-24(34-23)21-6-4-3-5-18(21)14-27-2)30-26-22-13-20(8-7-19(22)15-29-31-26)32-12-11-28-25(33)16-32;2*1-18(24-9-10-25(33-24)22-6-4-3-5-19(22)16-27-2)29-26-23-15-21(31-11-13-32-14-12-31)8-7-20(23)17-28-30-26;1-15-9-19-13-26-28-24(22(19)10-16(15)2)27-17(3)23-11-20(14-29-23)21-8-6-5-7-18(21)12-25-4;1-14-5-4-6-19(15(14)2)16(3)25-22-20-11-18(8-7-17(20)12-24-26-22)27-10-9-23-21(28)13-27;1-12-7-6-8-18(15(12)4)16(5)22-20-19-10-14(3)13(2)9-17(19)11-21-23-20/h3-10,13,15,17,27H,11-12,14,16H2,1-2H3,(H,28,33)(H,30,31);2*3-10,15,17-18,27H,11-14,16H2,1-2H3,(H,29,30);5-11,13-14,17,25H,12H2,1-4H3,(H,27,28);4-8,11-12,16H,9-10,13H2,1-3H3,(H,23,28)(H,25,26);6-11,16H,1-5H3,(H,22,23)/t17-;18-;;17-;2*16-/m11.111/s1
• InChIKey: LGXNAJBZAWZILW-XTJPSOJVSA-N
• XLogP: 28.62
• TPSA: 364.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2475.32
LogP ≤ 5	28.62
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CNCc1ccccc1-c1ccc(C(C)Nc2nncc3ccc(N4CCOCC4)cc23)s1.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nncc3ccc(N4CCNC(=O)C4)cc23)s1.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nncc3ccc(N4CCOCC4)cc23)s1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cc(C)c(C)cc23)c1.Cc1cc2cnnc(N[C@H](C)c3cccc(C)c3C)c2cc1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCNC(=O)C4)cc23)c1C.

What is the InChIKey of 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?

The InChIKey is LGXNAJBZAWZILW-XTJPSOJVSA-N. The full InChI is InChI=1S/C26H28N6OS.2C26H29N5OS.C24H26N4S.C22H25N5O.C20H23N3/c1-17(23-9-10-24(34-23)21-6-4-3-5-18(21)14-27-2)30-26-22-13-20(8-7-19(22)15-29-31-26)32-12-11-28-25(33)16-32;2*1-18(24-9-10-25(33-24)22-6-4-3-5-19(22)16-27-2)29-26-23-15-21(31-11-13-32-14-12-31)8-7-20(23)17-28-30-26;1-15-9-19-13-26-28-24(22(19)10-16(15)2)27-17(3)23-11-20(14-29-23)21-8-6-5-7-18(21)12-25-4;1-14-5-4-6-19(15(14)2)16(3)25-22-20-11-18(8-7-17(20)12-24-26-22)27-10-9-23-21(28)13-27;1-12-7-6-8-18(15(12)4)16(5)22-20-19-10-14(3)13(2)9-17(19)11-21-23-20/h3-10,13,15,17,27H,11-12,14,16H2,1-2H3,(H,28,33)(H,30,31);2*3-10,15,17-18,27H,11-14,16H2,1-2H3,(H,29,30);5-11,13-14,17,25H,12H2,1-4H3,(H,27,28);4-8,11-12,16H,9-10,13H2,1-3H3,(H,23,28)(H,25,26);6-11,16H,1-5H3,(H,22,23)/t17-;18-;;17-;2*16-/m11.111/s1.

What are the key properties of 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?

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 has a molecular weight of 2475.32 g/mol, XLogP of 28.62, 34 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167612645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).