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

C147H172F7N33O4S — CID 161385468

About 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

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 (PubChem CID 161385468) has the molecular formula C147H172F7N33O4S and a molecular weight of 2630.27 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161385468
• Molecular Formula: C147H172F7N33O4S
• Molecular Weight: 2630.27 g/mol
• Exact Mass: 2628.39
• IUPAC Name: 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
• SMILES: CNCc1c(C)cccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)s1.Cc1c([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)C5CC5)CC4)cc23)cccc1C(C)(F)F.Cc1c([C@@H](C)Nc2nnc(C)c3ccc(N4CCn5nccc5C4)cc23)cccc1C(C)(F)F.Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)cccc1C(C)(F)F.Cc1cc(F)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCNCC4)cc23)c1C
• InChI: InChI=1S/C28H33F2N5O.C27H32N6OS.C26H28F2N6.C23H27F2N5O.C22H28N6.C21H24FN5O/c1-17-22(6-5-7-25(17)28(4,29)30)18(2)31-26-24-16-21(10-11-23(24)19(3)32-33-26)34-12-14-35(15-13-34)27(36)20-8-9-20;1-17-6-5-7-20(22(17)15-28-4)25-9-8-24(35-25)19(3)30-27-21-14-26(33-10-12-34-13-11-33)29-16-23(21)18(2)31-32-27;1-16-21(6-5-7-24(16)26(4,27)28)17(2)30-25-23-14-19(8-9-22(23)18(3)31-32-25)33-12-13-34-20(15-33)10-11-29-34;1-14-17(6-5-7-20(14)23(4,24)25)15(2)27-22-18-12-21(30-8-10-31-11-9-30)26-13-19(18)16(3)28-29-22;1-14-6-5-7-18(15(14)2)16(3)25-22-19-12-21(28-10-8-23-9-11-28)24-13-20(19)17(4)26-27-22;1-13-8-16(10-17(22)9-13)14(2)24-21-18-11-20(27-4-6-28-7-5-27)23-12-19(18)15(3)25-26-21/h5-7,10-11,16,18,20H,8-9,12-15H2,1-4H3,(H,31,33);5-9,14,16,19,28H,10-13,15H2,1-4H3,(H,30,32);5-11,14,17H,12-13,15H2,1-4H3,(H,30,32);5-7,12-13,15H,8-11H2,1-4H3,(H,27,29);5-7,12-13,16,23H,8-11H2,1-4H3,(H,25,27);8-12,14H,4-7H2,1-3H3,(H,24,26)/t18-;19-;17-;15-;16-;14-/m111111/s1
• InChIKey: VSGZEFPGFUPGKX-VJVMGXIOSA-N
• XLogP: 28.52
• TPSA: 387.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2630.27
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CNCc1c(C)cccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)s1.Cc1c([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)C5CC5)CC4)cc23)cccc1C(C)(F)F.Cc1c([C@@H](C)Nc2nnc(C)c3ccc(N4CCn5nccc5C4)cc23)cccc1C(C)(F)F.Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)cccc1C(C)(F)F.Cc1cc(F)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCNCC4)cc23)c1C.

What is the InChIKey of 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?

The InChIKey is VSGZEFPGFUPGKX-VJVMGXIOSA-N. The full InChI is InChI=1S/C28H33F2N5O.C27H32N6OS.C26H28F2N6.C23H27F2N5O.C22H28N6.C21H24FN5O/c1-17-22(6-5-7-25(17)28(4,29)30)18(2)31-26-24-16-21(10-11-23(24)19(3)32-33-26)34-12-14-35(15-13-34)27(36)20-8-9-20;1-17-6-5-7-20(22(17)15-28-4)25-9-8-24(35-25)19(3)30-27-21-14-26(33-10-12-34-13-11-33)29-16-23(21)18(2)31-32-27;1-16-21(6-5-7-24(16)26(4,27)28)17(2)30-25-23-14-19(8-9-22(23)18(3)31-32-25)33-12-13-34-20(15-33)10-11-29-34;1-14-17(6-5-7-20(14)23(4,24)25)15(2)27-22-18-12-21(30-8-10-31-11-9-30)26-13-19(18)16(3)28-29-22;1-14-6-5-7-18(15(14)2)16(3)25-22-19-12-21(28-10-8-23-9-11-28)24-13-20(19)17(4)26-27-22;1-13-8-16(10-17(22)9-13)14(2)24-21-18-11-20(27-4-6-28-7-5-27)23-12-19(18)15(3)25-26-21/h5-7,10-11,16,18,20H,8-9,12-15H2,1-4H3,(H,31,33);5-9,14,16,19,28H,10-13,15H2,1-4H3,(H,30,32);5-11,14,17H,12-13,15H2,1-4H3,(H,30,32);5-7,12-13,15H,8-11H2,1-4H3,(H,27,29);5-7,12-13,16,23H,8-11H2,1-4H3,(H,25,27);8-12,14H,4-7H2,1-3H3,(H,24,26)/t18-;19-;17-;15-;16-;14-/m111111/s1.

What are the key properties of 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?

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 has a molecular weight of 2630.27 g/mol, XLogP of 28.52, 31 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161385468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).