7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;(3R)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-(1-methylpyrazol-4-yl)phthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine

C143H160N28O3S3 — CID 167532443

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

7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;(3R)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-(1-methylpyrazol-4-yl)phthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine (PubChem CID 167532443) has the molecular formula C143H160N28O3S3 and a molecular weight of 2415.25 g/mol. Its IUPAC name is 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;(3R)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-(1-methylpyrazol-4-yl)phthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine.

Molecular Properties

• Compound Name: 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;(3R)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-(1-methylpyrazol-4-yl)phthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
• PubChem CID: 167532443
• Molecular Formula: C143H160N28O3S3
• Molecular Weight: 2415.25 g/mol
• Exact Mass: 2413.24
• IUPAC Name: 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;(3R)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-(1-methylpyrazol-4-yl)phthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
• SMILES: CNCc1ccccc1-c1csc(C(C)Nc2nncc3cc(C)c(C)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3ccc(-c4cnn(C)c4)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3ccc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCOCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CC[C@@H](O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CC[C@H]5NC[C@H]54)cc23)c1C
• InChI: InChI=1S/C26H26N6S.C26H29N5OS.C24H26N4S.C23H27N5.2C22H26N4O/c1-17(25-11-21(16-33-25)23-7-5-4-6-19(23)12-27-2)30-26-24-10-18(22-14-29-32(3)15-22)8-9-20(24)13-28-31-26;1-18(25-13-21(17-33-25)23-6-4-3-5-19(23)15-27-2)29-26-24-14-22(31-9-11-32-12-10-31)8-7-20(24)16-28-30-26;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)26-23-20-11-18(8-7-17(20)12-25-27-23)28-10-9-21-22(28)13-24-21;1-15-5-4-6-20(16(15)2)17(3)24-22-21-13-19(26-9-11-27-12-10-26)8-7-18(21)14-23-25-22;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/h4-11,13-17,27H,12H2,1-3H3,(H,30,31);3-8,13-14,16-18,27H,9-12,15H2,1-2H3,(H,29,30);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);4-8,13-14,17H,9-12H2,1-3H3,(H,24,25);4-8,11-12,16,19,27H,9-10,13H2,1-3H3,(H,24,25)/t17-;18-;;16-,21-,22-;17-;16-,19-/m11.111/s1
• InChIKey: ADQVXNFOGGWYQX-ACULEWJMSA-N
• XLogP: 28.82
• TPSA: 344.45 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2415.25
LogP ≤ 5	28.82
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

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

The IUPAC name of 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;(3R)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-(1-methylpyrazol-4-yl)phthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine (CID 167532443) is 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;(3R)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-(1-methylpyrazol-4-yl)phthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine.

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

The canonical SMILES for 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;(3R)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-(1-methylpyrazol-4-yl)phthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine is CNCc1ccccc1-c1csc(C(C)Nc2nncc3cc(C)c(C)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3ccc(-c4cnn(C)c4)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3ccc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCOCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CC[C@@H](O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CC[C@H]5NC[C@H]54)cc23)c1C.

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

The InChIKey is ADQVXNFOGGWYQX-ACULEWJMSA-N. The full InChI is InChI=1S/C26H26N6S.C26H29N5OS.C24H26N4S.C23H27N5.2C22H26N4O/c1-17(25-11-21(16-33-25)23-7-5-4-6-19(23)12-27-2)30-26-24-10-18(22-14-29-32(3)15-22)8-9-20(24)13-28-31-26;1-18(25-13-21(17-33-25)23-6-4-3-5-19(23)15-27-2)29-26-24-14-22(31-9-11-32-12-10-31)8-7-20(24)16-28-30-26;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)26-23-20-11-18(8-7-17(20)12-25-27-23)28-10-9-21-22(28)13-24-21;1-15-5-4-6-20(16(15)2)17(3)24-22-21-13-19(26-9-11-27-12-10-26)8-7-18(21)14-23-25-22;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/h4-11,13-17,27H,12H2,1-3H3,(H,30,31);3-8,13-14,16-18,27H,9-12,15H2,1-2H3,(H,29,30);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);4-8,13-14,17H,9-12H2,1-3H3,(H,24,25);4-8,11-12,16,19,27H,9-10,13H2,1-3H3,(H,24,25)/t17-;18-;;16-,21-,22-;17-;16-,19-/m11.111/s1.

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

7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;(3R)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-(1-methylpyrazol-4-yl)phthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine has a molecular weight of 2415.25 g/mol, XLogP of 28.82, 32 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine;(3R)-1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]phthalazin-6-yl]pyrrolidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-(1-methylpyrazol-4-yl)phthalazin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine is sourced from PubChem (CID 167532443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).