N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine

C171H204F15N33O3 — CID 157369846

IUPACN-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CCOCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCNCC4)cc23)c1C.Cc1nnc(N[C@H](C)c2cccc(C(F)(F)C(C)(C)C)c2F)c2cc(N3C[C@H]4C[C@@H]3CO4)ncc12
InChIInChI=1S/C26H30F3N5O.C26H32F3N5.2C24H27F3N4O.2C24H30FN5.C23H28FN5/c1-14(18-7-6-8-21(23(18)27)26(28,29)25(3,4)5)31-24-19-10-22(30-11-20(19)15(2)32-33-24)34-12-17-9-16(34)13-35-17;1-15-9-8-10-19(16(15)2)17(3)30-24-21-12-23(34-13-25(5,14-34)33(6)7)22(26(27,28)29)11-20(21)18(4)31-32-24;1-13-7-6-8-17(14(13)2)15(3)28-22-19-10-21(31-11-23(5,32)12-31)20(24(25,26)27)9-18(19)16(4)29-30-22;1-14-6-5-7-18(15(14)2)16(3)28-23-20-13-22(31-8-10-32-11-9-31)21(24(25,26)27)12-19(20)17(4)29-30-23;2*1-15-7-6-8-19(16(15)2)17(3)26-24-21-14-23(30-11-9-29(5)10-12-30)22(25)13-20(21)18(4)27-28-24;1-14-6-5-7-18(15(14)2)16(3)26-23-20-13-22(29-10-8-25-9-11-29)21(24)12-19(20)17(4)27-28-23/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3,(H,31,33);8-12,17H,13-14H2,1-7H3,(H,30,32);6-10,15,32H,11-12H2,1-5H3,(H,28,30);5-7,12-13,16H,8-11H2,1-4H3,(H,28,30);2*6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);5-7,12-13,16,25H,8-11H2,1-4H3,(H,26,28)/t14-,16-,17-;17-;15-;16-;2*17-;16-/m1111111/s1
InChIKeyBJPYZRGCHSYLDZ-MVYUZDJUSA-N
MW3054.71 g/mol
LogP36.06
Rot. Bonds30

About N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine

N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine (PubChem CID 157369846) has the molecular formula C171H204F15N33O3 and a molecular weight of 3054.71 g/mol. Its IUPAC name is N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine
PubChem CID157369846
Molecular FormulaC171H204F15N33O3
Molecular Weight3054.71 g/mol
Exact Mass3052.66
IUPAC NameN-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CCOCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCNCC4)cc23)c1C.Cc1nnc(N[C@H](C)c2cccc(C(F)(F)C(C)(C)C)c2F)c2cc(N3C[C@H]4C[C@@H]3CO4)ncc12
InChIInChI=1S/C26H30F3N5O.C26H32F3N5.2C24H27F3N4O.2C24H30FN5.C23H28FN5/c1-14(18-7-6-8-21(23(18)27)26(28,29)25(3,4)5)31-24-19-10-22(30-11-20(19)15(2)32-33-24)34-12-17-9-16(34)13-35-17;1-15-9-8-10-19(16(15)2)17(3)30-24-21-12-23(34-13-25(5,14-34)33(6)7)22(26(27,28)29)11-20(21)18(4)31-32-24;1-13-7-6-8-17(14(13)2)15(3)28-22-19-10-21(31-11-23(5,32)12-31)20(24(25,26)27)9-18(19)16(4)29-30-22;1-14-6-5-7-18(15(14)2)16(3)28-23-20-13-22(31-8-10-32-11-9-31)21(24(25,26)27)12-19(20)17(4)29-30-23;2*1-15-7-6-8-19(16(15)2)17(3)26-24-21-14-23(30-11-9-29(5)10-12-30)22(25)13-20(21)18(4)27-28-24;1-14-6-5-7-18(15(14)2)16(3)26-23-20-13-22(29-10-8-25-9-11-29)21(24)12-19(20)17(4)27-28-23/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3,(H,31,33);8-12,17H,13-14H2,1-7H3,(H,30,32);6-10,15,32H,11-12H2,1-5H3,(H,28,30);5-7,12-13,16H,8-11H2,1-4H3,(H,28,30);2*6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);5-7,12-13,16,25H,8-11H2,1-4H3,(H,26,28)/t14-,16-,17-;17-;15-;16-;2*17-;16-/m1111111/s1
InChIKeyBJPYZRGCHSYLDZ-MVYUZDJUSA-N
XLogP36.06
TPSA360.68 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds30
Heavy Atoms222
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003054.71
LogP ≤ 536.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine?
The IUPAC name of N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine (CID 157369846) is N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine.
What is the SMILES notation for N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine?
The canonical SMILES for N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine is Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CC(C)(O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(C(F)(F)F)c(N4CCOCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCN(C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCNCC4)cc23)c1C.Cc1nnc(N[C@H](C)c2cccc(C(F)(F)C(C)(C)C)c2F)c2cc(N3C[C@H]4C[C@@H]3CO4)ncc12.
What is the InChIKey of N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine?
The InChIKey is BJPYZRGCHSYLDZ-MVYUZDJUSA-N. The full InChI is InChI=1S/C26H30F3N5O.C26H32F3N5.2C24H27F3N4O.2C24H30FN5.C23H28FN5/c1-14(18-7-6-8-21(23(18)27)26(28,29)25(3,4)5)31-24-19-10-22(30-11-20(19)15(2)32-33-24)34-12-17-9-16(34)13-35-17;1-15-9-8-10-19(16(15)2)17(3)30-24-21-12-23(34-13-25(5,14-34)33(6)7)22(26(27,28)29)11-20(21)18(4)31-32-24;1-13-7-6-8-17(14(13)2)15(3)28-22-19-10-21(31-11-23(5,32)12-31)20(24(25,26)27)9-18(19)16(4)29-30-22;1-14-6-5-7-18(15(14)2)16(3)28-23-20-13-22(31-8-10-32-11-9-31)21(24(25,26)27)12-19(20)17(4)29-30-23;2*1-15-7-6-8-19(16(15)2)17(3)26-24-21-14-23(30-11-9-29(5)10-12-30)22(25)13-20(21)18(4)27-28-24;1-14-6-5-7-18(15(14)2)16(3)26-23-20-13-22(29-10-8-25-9-11-29)21(24)12-19(20)17(4)27-28-23/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3,(H,31,33);8-12,17H,13-14H2,1-7H3,(H,30,32);6-10,15,32H,11-12H2,1-5H3,(H,28,30);5-7,12-13,16H,8-11H2,1-4H3,(H,28,30);2*6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);5-7,12-13,16,25H,8-11H2,1-4H3,(H,26,28)/t14-,16-,17-;17-;15-;16-;2*17-;16-/m1111111/s1.
What are the key properties of N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine?
N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine has a molecular weight of 3054.71 g/mol, XLogP of 36.06, 30 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(1,1-difluoro-2,2-dimethylpropyl)-2-fluorophenyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-6-(trifluoromethyl)phthalazin-1-amine;1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methyl-7-(trifluoromethyl)phthalazin-6-yl]-3-methylazetidin-3-ol;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine);N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-amine is sourced from PubChem (CID 157369846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).