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

C137H159F5N24O9 — CID 161160261

IUPAC4-(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
SMILESCc1c([C@@H](C)Nc2nnc(CN)c3ccc(N4CCOCC4)cc23)cccc1C(C)(F)F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(OC4COC4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5CC(C4)O5)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(CN(C)C)c3ccc(N4CCOCC4)cc23)c1C
InChIInChI=1S/C25H33N5O.C24H29F2N5O.C23H27N3O2.C22H24FN5O.C22H24FN3O2.C21H22FN3O2/c1-17-7-6-8-21(18(17)2)19(3)26-25-23-15-20(30-11-13-31-14-12-30)9-10-22(23)24(27-28-25)16-29(4)5;1-15-18(5-4-6-21(15)24(3,25)26)16(2)28-23-20-13-17(31-9-11-32-12-10-31)7-8-19(20)22(14-27)29-30-23;1-14-6-5-7-20(15(14)2)16(3)24-23-22-12-18(28-19-10-11-27-13-19)8-9-21(22)17(4)25-26-23;1-12-5-4-6-17(21(12)23)13(2)25-22-18-8-20(24-9-19(18)14(3)26-27-22)28-10-15-7-16(11-28)29-15;1-13-5-4-6-19(21(13)23)14(2)24-22-20-11-16(28-17-9-10-27-12-17)7-8-18(20)15(3)25-26-22;1-12-5-4-6-18(20(12)22)13(2)23-21-19-9-15(27-16-10-26-11-16)7-8-17(19)14(3)24-25-21/h6-10,15,19H,11-14,16H2,1-5H3,(H,26,28);4-8,13,16H,9-12,14,27H2,1-3H3,(H,28,30);5-9,12,16,19H,10-11,13H2,1-4H3,(H,24,26);4-6,8-9,13,15-16H,7,10-11H2,1-3H3,(H,25,27);4-8,11,14,17H,9-10,12H2,1-3H3,(H,24,26);4-9,13,16H,10-11H2,1-3H3,(H,23,25)/t19-;16-;16-,19+;13-,15?,16?;14-,17+;13-/m111111/s1
InChIKeyUPVDUFFDNADTIS-IGUGQRFUSA-N
MW2380.93 g/mol
LogP26.73
Rot. Bonds31

About 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

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 (PubChem CID 161160261) has the molecular formula C137H159F5N24O9 and a molecular weight of 2380.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID161160261
Molecular FormulaC137H159F5N24O9
Molecular Weight2380.93 g/mol
Exact Mass2379.26
IUPAC Name4-(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
SMILESCc1c([C@@H](C)Nc2nnc(CN)c3ccc(N4CCOCC4)cc23)cccc1C(C)(F)F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(OC4COC4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5CC(C4)O5)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(CN(C)C)c3ccc(N4CCOCC4)cc23)c1C
InChIInChI=1S/C25H33N5O.C24H29F2N5O.C23H27N3O2.C22H24FN5O.C22H24FN3O2.C21H22FN3O2/c1-17-7-6-8-21(18(17)2)19(3)26-25-23-15-20(30-11-13-31-14-12-30)9-10-22(23)24(27-28-25)16-29(4)5;1-15-18(5-4-6-21(15)24(3,25)26)16(2)28-23-20-13-17(31-9-11-32-12-10-31)7-8-19(20)22(14-27)29-30-23;1-14-6-5-7-20(15(14)2)16(3)24-23-22-12-18(28-19-10-11-27-13-19)8-9-21(22)17(4)25-26-23;1-12-5-4-6-17(21(12)23)13(2)25-22-18-8-20(24-9-19(18)14(3)26-27-22)28-10-15-7-16(11-28)29-15;1-13-5-4-6-19(21(13)23)14(2)24-22-20-11-16(28-17-9-10-27-12-17)7-8-18(20)15(3)25-26-22;1-12-5-4-6-18(20(12)22)13(2)23-21-19-9-15(27-16-10-26-11-16)7-8-17(19)14(3)24-25-21/h6-10,15,19H,11-14,16H2,1-5H3,(H,26,28);4-8,13,16H,9-12,14,27H2,1-3H3,(H,28,30);5-9,12,16,19H,10-11,13H2,1-4H3,(H,24,26);4-6,8-9,13,15-16H,7,10-11H2,1-3H3,(H,25,27);4-8,11,14,17H,9-10,12H2,1-3H3,(H,24,26);4-9,13,16H,10-11H2,1-3H3,(H,23,25)/t19-;16-;16-,19+;13-,15?,16?;14-,17+;13-/m111111/s1
InChIKeyUPVDUFFDNADTIS-IGUGQRFUSA-N
XLogP26.73
TPSA361.80 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002380.93
LogP ≤ 526.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze 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 with MolForge

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Related Compounds

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
N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
CID 159319998
N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-6-(8-fluoro-3-methylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[5-fluoro-4-(8-fluoro-3-methylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-6-amine;5-fluoro-6-(8-fluoro-2-methyl-3-methylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)pyridin-2-amine;5-fluoro-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-4-(8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridin-2-amine;5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)-4-(8-methyl-3-methylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)pyridin-2-amine;6-(8-fluoro-3-methylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyridin-2-amine
CID 163663707
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
N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
CID 157423068
N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;bis(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);bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-(methylaminomethyl)-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine)
CID 157733612
N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;bis(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-(2,3-dimethylphenyl)ethyl]-4-(methylaminomethyl)-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-(methylaminomethyl)-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine
CID 158245179
N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-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-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 159071790
7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;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-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 159089058
N-[(1R)-1-(5-amino-2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]phthalazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-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-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phthalazin-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
CID 160105654
N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
CID 160539013

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c([C@@H](C)Nc2nnc(CN)c3ccc(N4CCOCC4)cc23)cccc1C(C)(F)F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(OC4COC4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5CC(C4)O5)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(CN(C)C)c3ccc(N4CCOCC4)cc23)c1C.
What is the InChIKey of 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?
The InChIKey is UPVDUFFDNADTIS-IGUGQRFUSA-N. The full InChI is InChI=1S/C25H33N5O.C24H29F2N5O.C23H27N3O2.C22H24FN5O.C22H24FN3O2.C21H22FN3O2/c1-17-7-6-8-21(18(17)2)19(3)26-25-23-15-20(30-11-13-31-14-12-30)9-10-22(23)24(27-28-25)16-29(4)5;1-15-18(5-4-6-21(15)24(3,25)26)16(2)28-23-20-13-17(31-9-11-32-12-10-31)7-8-19(20)22(14-27)29-30-23;1-14-6-5-7-20(15(14)2)16(3)24-23-22-12-18(28-19-10-11-27-13-19)8-9-21(22)17(4)25-26-23;1-12-5-4-6-17(21(12)23)13(2)25-22-18-8-20(24-9-19(18)14(3)26-27-22)28-10-15-7-16(11-28)29-15;1-13-5-4-6-19(21(13)23)14(2)24-22-20-11-16(28-17-9-10-27-12-17)7-8-18(20)15(3)25-26-22;1-12-5-4-6-18(20(12)22)13(2)23-21-19-9-15(27-16-10-26-11-16)7-8-17(19)14(3)24-25-21/h6-10,15,19H,11-14,16H2,1-5H3,(H,26,28);4-8,13,16H,9-12,14,27H2,1-3H3,(H,28,30);5-9,12,16,19H,10-11,13H2,1-4H3,(H,24,26);4-6,8-9,13,15-16H,7,10-11H2,1-3H3,(H,25,27);4-8,11,14,17H,9-10,12H2,1-3H3,(H,24,26);4-9,13,16H,10-11H2,1-3H3,(H,23,25)/t19-;16-;16-,19+;13-,15?,16?;14-,17+;13-/m111111/s1.
What are the key properties of 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?
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 has a molecular weight of 2380.93 g/mol, XLogP of 26.73, 31 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161160261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).