N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine

C135H166N32O8 — CID 167602470

About N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine

N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine (PubChem CID 167602470) has the molecular formula C135H166N32O8 and a molecular weight of 2365.03 g/mol. Its IUPAC name is N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

• Compound Name: N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine
• PubChem CID: 167602470
• Molecular Formula: C135H166N32O8
• Molecular Weight: 2365.03 g/mol
• Exact Mass: 2363.36
• IUPAC Name: N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine
• SMILES: Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1C.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)n1.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1C.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@H]5C[C@@H]4CO5)cc23)n1.Cc1cccc([C@@H](C)Nc2nnc(CN(C)C)c3cnc(N4C[C@H]5C[C@@H]4CO5)cc23)c1C
• InChI: InChI=1S/C25H32N6O.C23H29N5O.C23H28N4O2.C22H26N4O2.C21H25N7O.C21H26N6O/c1-15-7-6-8-20(16(15)2)17(3)27-25-21-10-24(31-12-19-9-18(31)14-32-19)26-11-22(21)23(28-29-25)13-30(4)5;1-14-11-18(24)12-21(15(14)2)16(3)25-23-22-13-19(28-7-9-29-10-8-28)5-6-20(22)17(4)26-27-23;1-13-9-17(24)10-21(14(13)2)15(3)25-23-22-11-18(29-19-7-8-28-12-19)5-6-20(22)16(4)26-27-23;1-13-8-16(10-17(23)9-13)14(2)24-22-21-11-18(28-19-6-7-27-12-19)4-5-20(21)15(3)25-26-22;1-11-4-14(22)5-19(24-11)13(3)25-21-17-7-20(23-8-18(17)12(2)26-27-21)28-9-16-6-15(28)10-29-16;1-13-10-16(22)11-20(23-13)15(3)24-21-19-12-17(27-6-8-28-9-7-27)4-5-18(19)14(2)25-26-21/h6-8,10-11,17-19H,9,12-14H2,1-5H3,(H,27,29);5-6,11-13,16H,7-10,24H2,1-4H3,(H,25,27);5-6,9-11,15,19H,7-8,12,24H2,1-4H3,(H,25,27);4-5,8-11,14,19H,6-7,12,23H2,1-3H3,(H,24,26);4-5,7-8,13,15-16H,6,9-10H2,1-3H3,(H2,22,24)(H,25,27);4-5,10-12,15H,6-9H2,1-3H3,(H2,22,23)(H,24,26)/t17-,18-,19-;16-;15-,19+;14-,19+;13-,15-,16-;15-/m111111/s1
• InChIKey: JXSPSKFHXBLHMG-FYIFLSPNSA-N
• XLogP: 22.65
• TPSA: 498.56 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2365.03
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine?

The IUPAC name of N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine (CID 167602470) is N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine.

What is the SMILES notation for N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine?

The canonical SMILES for N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine is Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1C.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)n1.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1C.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@H]5C[C@@H]4CO5)cc23)n1.Cc1cccc([C@@H](C)Nc2nnc(CN(C)C)c3cnc(N4C[C@H]5C[C@@H]4CO5)cc23)c1C.

What is the InChIKey of N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine?

The InChIKey is JXSPSKFHXBLHMG-FYIFLSPNSA-N. The full InChI is InChI=1S/C25H32N6O.C23H29N5O.C23H28N4O2.C22H26N4O2.C21H25N7O.C21H26N6O/c1-15-7-6-8-20(16(15)2)17(3)27-25-21-10-24(31-12-19-9-18(31)14-32-19)26-11-22(21)23(28-29-25)13-30(4)5;1-14-11-18(24)12-21(15(14)2)16(3)25-23-22-13-19(28-7-9-29-10-8-28)5-6-20(22)17(4)26-27-23;1-13-9-17(24)10-21(14(13)2)15(3)25-23-22-11-18(29-19-7-8-28-12-19)5-6-20(22)16(4)26-27-23;1-13-8-16(10-17(23)9-13)14(2)24-22-21-11-18(28-19-6-7-27-12-19)4-5-20(21)15(3)25-26-22;1-11-4-14(22)5-19(24-11)13(3)25-21-17-7-20(23-8-18(17)12(2)26-27-21)28-9-16-6-15(28)10-29-16;1-13-10-16(22)11-20(23-13)15(3)24-21-19-12-17(27-6-8-28-9-7-27)4-5-18(19)14(2)25-26-21/h6-8,10-11,17-19H,9,12-14H2,1-5H3,(H,27,29);5-6,11-13,16H,7-10,24H2,1-4H3,(H,25,27);5-6,9-11,15,19H,7-8,12,24H2,1-4H3,(H,25,27);4-5,8-11,14,19H,6-7,12,23H2,1-3H3,(H,24,26);4-5,7-8,13,15-16H,6,9-10H2,1-3H3,(H2,22,24)(H,25,27);4-5,10-12,15H,6-9H2,1-3H3,(H2,22,23)(H,24,26)/t17-,18-,19-;16-;15-,19+;14-,19+;13-,15-,16-;15-/m111111/s1.

What are the key properties of N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine?

N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2365.03 g/mol, XLogP of 22.65, 28 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 167602470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).