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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol

C138H168F4N28O5 — CID 160539559

IUPACN-[(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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol
SMILESCOc1c(C)cccc1[C@@H](C)Nc1nnc(C)c2ccc(N3CC(C)(O)C3)cc12.COc1c(C)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CC(C)(O)C3)cc12.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.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCOCC4)cc23)c1C
InChIInChI=1S/C24H30FN5.2C23H28FN5.C23H27FN4O.C23H28N4O2.C22H27N5O2/c1-15-7-6-8-19(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;2*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;1-14-6-5-7-18(15(14)2)16(3)25-23-20-13-22(28-8-10-29-11-9-28)21(24)12-19(20)17(4)26-27-23;1-14-7-6-8-19(21(14)29-5)15(2)24-22-20-11-17(27-12-23(4,28)13-27)9-10-18(20)16(3)25-26-22;1-13-7-6-8-16(20(13)29-5)14(2)24-21-17-9-19(27-11-22(4,28)12-27)23-10-18(17)15(3)25-26-21/h6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);2*5-7,12-13,16,25H,8-11H2,1-4H3,(H,26,28);5-7,12-13,16H,8-11H2,1-4H3,(H,25,27);6-11,15,28H,12-13H2,1-5H3,(H,24,26);6-10,14,28H,11-12H2,1-5H3,(H,24,26)/t17-;3*16-;15-;14-/m111111/s1
InChIKeyQWPJSYVPXYXOKQ-WZGQOLDESA-N
MW2375.04 g/mol
LogP25.27
Rot. Bonds26

About 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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol

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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol (PubChem CID 160539559) has the molecular formula C138H168F4N28O5 and a molecular weight of 2375.04 g/mol. Its IUPAC name is 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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol.

Molecular Properties

Compound NameN-[(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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol
PubChem CID160539559
Molecular FormulaC138H168F4N28O5
Molecular Weight2375.04 g/mol
Exact Mass2373.37
IUPAC NameN-[(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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol
SMILESCOc1c(C)cccc1[C@@H](C)Nc1nnc(C)c2ccc(N3CC(C)(O)C3)cc12.COc1c(C)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CC(C)(O)C3)cc12.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.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCOCC4)cc23)c1C
InChIInChI=1S/C24H30FN5.2C23H28FN5.C23H27FN4O.C23H28N4O2.C22H27N5O2/c1-15-7-6-8-19(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;2*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;1-14-6-5-7-18(15(14)2)16(3)25-23-20-13-22(28-8-10-29-11-9-28)21(24)12-19(20)17(4)26-27-23;1-14-7-6-8-19(21(14)29-5)15(2)24-22-20-11-17(27-12-23(4,28)13-27)9-10-18(20)16(3)25-26-22;1-13-7-6-8-16(20(13)29-5)14(2)24-21-17-9-19(27-11-22(4,28)12-27)23-10-18(17)15(3)25-26-21/h6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);2*5-7,12-13,16,25H,8-11H2,1-4H3,(H,26,28);5-7,12-13,16H,8-11H2,1-4H3,(H,25,27);6-11,15,28H,12-13H2,1-5H3,(H,24,26);6-10,14,28H,11-12H2,1-5H3,(H,24,26)/t17-;3*16-;15-;14-/m111111/s1
InChIKeyQWPJSYVPXYXOKQ-WZGQOLDESA-N
XLogP25.27
TPSA354.64 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002375.04
LogP ≤ 525.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol with MolForge

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Related Compounds

US11702418, Example 17-2
CID 156495603
4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine
CID 159205089
4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-7-morpholin-4-yl-N-[(1R)-1-[3-phenylmethoxy-5-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine;3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]-5-(trifluoromethyl)phenol;(1R)-1-[3-phenylmethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 160308584
4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine
CID 161160261
4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine
CID 167536217
N-[(1R)-1-[3-[[5-[[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[2,3-d]pyridazin-8-yl]methoxy]-5-(trifluoromethyl)phenyl]ethyl]-8-methyl-3-morpholin-4-ylpyrido[2,3-d]pyridazin-5-amine
CID 170110005
6-[[5-[[(1R)-1-[3-(1,1-difluoroethyl)phenyl]ethyl]amino]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[2,3-d]pyridazin-8-yl]methyl]-2-methoxy-3-[(1R)-1-[(8-methyl-3-morpholin-4-ylpyrido[2,3-d]pyridazin-5-yl)amino]ethyl]benzonitrile
CID 170110084
6-[[3-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-5-[[(1R)-1-[3-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]amino]pyrido[2,3-d]pyridazin-8-yl]methyl]-3-[(1R)-1-[[3-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-methoxybenzonitrile
CID 170111206
6-[[5-[[(1R)-1-[3-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]amino]-3-(3-hydroxyazetidin-1-yl)pyrido[2,3-d]pyridazin-8-yl]methyl]-3-[(1R)-1-[[3-(3-hydroxyazetidin-1-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-methoxybenzonitrile
CID 170111655
6-(3-methoxypyridin-2-yl)-N-[4-(trifluoromethyl)phenyl]phthalazin-1-amine;6-(3-methylpyridin-2-yl)-4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 157846013
3-[1-[[7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-methylpyrido[3,4-d]pyridazin-1-yl]amino]ethyl]-2-methoxybenzonitrile
CID 156495607
3-[(1R)-1-[[7-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4-methylpyrido[3,4-d]pyridazin-1-yl]amino]ethyl]-2-methoxybenzonitrile
CID 156495609

Frequently Asked Questions

What is the IUPAC name of 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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol?
The IUPAC name of 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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol (CID 160539559) is 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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol.
What is the SMILES notation for 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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol?
The canonical SMILES for 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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol is COc1c(C)cccc1[C@@H](C)Nc1nnc(C)c2ccc(N3CC(C)(O)C3)cc12.COc1c(C)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CC(C)(O)C3)cc12.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.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCOCC4)cc23)c1C.
What is the InChIKey of 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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol?
The InChIKey is QWPJSYVPXYXOKQ-WZGQOLDESA-N. The full InChI is InChI=1S/C24H30FN5.2C23H28FN5.C23H27FN4O.C23H28N4O2.C22H27N5O2/c1-15-7-6-8-19(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;2*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;1-14-6-5-7-18(15(14)2)16(3)25-23-20-13-22(28-8-10-29-11-9-28)21(24)12-19(20)17(4)26-27-23;1-14-7-6-8-19(21(14)29-5)15(2)24-22-20-11-17(27-12-23(4,28)13-27)9-10-18(20)16(3)25-26-22;1-13-7-6-8-16(20(13)29-5)14(2)24-21-17-9-19(27-11-22(4,28)12-27)23-10-18(17)15(3)25-26-21/h6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);2*5-7,12-13,16,25H,8-11H2,1-4H3,(H,26,28);5-7,12-13,16H,8-11H2,1-4H3,(H,25,27);6-11,15,28H,12-13H2,1-5H3,(H,24,26);6-10,14,28H,11-12H2,1-5H3,(H,24,26)/t17-;3*16-;15-;14-/m111111/s1.
What are the key properties of 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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol?
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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol has a molecular weight of 2375.04 g/mol, XLogP of 25.27, 26 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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-morpholin-4-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine);1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol is sourced from PubChem (CID 160539559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).