7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine

C153H170N28OS3 — CID 162150489

About 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine

7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine (PubChem CID 162150489) has the molecular formula C153H170N28OS3 and a molecular weight of 2513.44 g/mol. Its IUPAC name is 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine.

Molecular Properties

• Compound Name: 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine
• PubChem CID: 162150489
• Molecular Formula: C153H170N28OS3
• Molecular Weight: 2513.44 g/mol
• Exact Mass: 2511.33
• IUPAC Name: 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine
• SMILES: CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cc(C)c(C)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3ccc(N(C)C)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3ccccc23)c1.Cc1cccc([C@@H](C)Nc2nncc3cc(C)c(C)cc23)c1.Cc1cccc([C@@H](C)Nc2nncc3cc(C)c(C)cc23)c1.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CC[C@H](O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4C[C@H]5NCC[C@H]54)cc23)c1C
• InChI: InChI=1S/C24H27N5S.C24H26N4S.C23H27N5.C22H26N4O.C22H22N4S.2C19H21N3/c1-16(23-11-19(15-30-23)21-8-6-5-7-17(21)13-25-2)27-24-22-12-20(29(3)4)10-9-18(22)14-26-28-24;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)26-23-20-11-18(8-7-17(20)12-25-27-23)28-13-21-22(28)9-10-24-21;1-14-5-4-6-20(15(14)2)16(3)24-22-21-11-18(26-10-9-19(27)13-26)8-7-17(21)12-23-25-22;1-15(25-22-20-10-6-4-8-17(20)13-24-26-22)21-11-18(14-27-21)19-9-5-3-7-16(19)12-23-2;2*1-12-6-5-7-16(8-12)15(4)21-19-18-10-14(3)13(2)9-17(18)11-20-22-19/h5-12,14-16,25H,13H2,1-4H3,(H,27,28);5-11,13-14,17,25H,12H2,1-4H3,(H,27,28);4-8,11-12,16,21-22,24H,9-10,13H2,1-3H3,(H,26,27);4-8,11-12,16,19,27H,9-10,13H2,1-3H3,(H,24,25);3-11,13-15,23H,12H2,1-2H3,(H,25,26);2*5-11,15H,1-4H3,(H,21,22)/t16-;17-;16-,21-,22-;16-,19+;3*15-/m1111111/s1
• InChIKey: ZLDJKXXNWCMKSG-WGFANYFISA-N
• XLogP: 33.85
• TPSA: 342.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2513.44
LogP ≤ 5	33.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine?

The IUPAC name of 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine (CID 162150489) is 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine.

What is the SMILES notation for 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine?

The canonical SMILES for 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine is CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cc(C)c(C)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3ccc(N(C)C)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3ccccc23)c1.Cc1cccc([C@@H](C)Nc2nncc3cc(C)c(C)cc23)c1.Cc1cccc([C@@H](C)Nc2nncc3cc(C)c(C)cc23)c1.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CC[C@H](O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4C[C@H]5NCC[C@H]54)cc23)c1C.

What is the InChIKey of 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine?

The InChIKey is ZLDJKXXNWCMKSG-WGFANYFISA-N. The full InChI is InChI=1S/C24H27N5S.C24H26N4S.C23H27N5.C22H26N4O.C22H22N4S.2C19H21N3/c1-16(23-11-19(15-30-23)21-8-6-5-7-17(21)13-25-2)27-24-22-12-20(29(3)4)10-9-18(22)14-26-28-24;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)26-23-20-11-18(8-7-17(20)12-25-27-23)28-13-21-22(28)9-10-24-21;1-14-5-4-6-20(15(14)2)16(3)24-22-21-11-18(26-10-9-19(27)13-26)8-7-17(21)12-23-25-22;1-15(25-22-20-10-6-4-8-17(20)13-24-26-22)21-11-18(14-27-21)19-9-5-3-7-16(19)12-23-2;2*1-12-6-5-7-16(8-12)15(4)21-19-18-10-14(3)13(2)9-17(18)11-20-22-19/h5-12,14-16,25H,13H2,1-4H3,(H,27,28);5-11,13-14,17,25H,12H2,1-4H3,(H,27,28);4-8,11-12,16,21-22,24H,9-10,13H2,1-3H3,(H,26,27);4-8,11-12,16,19,27H,9-10,13H2,1-3H3,(H,24,25);3-11,13-15,23H,12H2,1-2H3,(H,25,26);2*5-11,15H,1-4H3,(H,21,22)/t16-;17-;16-,21-,22-;16-,19+;3*15-/m1111111/s1.

What are the key properties of 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine?

7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine has a molecular weight of 2513.44 g/mol, XLogP of 33.85, 33 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;7-N,7-N-dimethyl-1-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazine-1,7-diamine;bis(6,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine);(3S)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine is sourced from PubChem (CID 162150489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).