cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine

C165H203F3N34O8 — CID 167649491

IUPACcyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)C5(C(F)(F)F)CC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)C5CCOCC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)[C@@H]5CCOC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)[C@H]5CCOC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(C(=O)C5CC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(c5cnn(C)c5)CC4)cc23)c1C
InChIInChI=1S/C29H37N5O2.C28H32F3N5O.2C28H35N5O2.C26H32N8.C26H32N6O/c1-19-6-5-7-25(20(19)2)21(3)30-28-27-18-24(8-9-26(27)22(4)31-32-28)33-12-14-34(15-13-33)29(35)23-10-16-36-17-11-23;1-17-6-5-7-22(18(17)2)19(3)32-25-24-16-21(8-9-23(24)20(4)33-34-25)35-12-14-36(15-13-35)26(37)27(10-11-27)28(29,30)31;2*1-18-6-5-7-24(19(18)2)20(3)29-27-26-16-23(8-9-25(26)21(4)30-31-27)32-11-13-33(14-12-32)28(34)22-10-15-35-17-22;1-17-7-6-8-22(18(17)2)19(3)29-26-23-13-25(27-15-24(23)20(4)30-31-26)34-11-9-33(10-12-34)21-14-28-32(5)16-21;1-16-6-5-7-21(17(16)2)18(3)28-25-22-14-24(27-15-23(22)19(4)29-30-25)31-10-12-32(13-11-31)26(33)20-8-9-20/h5-9,18,21,23H,10-17H2,1-4H3,(H,30,32);5-9,16,19H,10-15H2,1-4H3,(H,32,34);2*5-9,16,20,22H,10-15,17H2,1-4H3,(H,29,31);6-8,13-16,19H,9-12H2,1-5H3,(H,29,31);5-7,14-15,18,20H,8-13H2,1-4H3,(H,28,30)/t21-;19-;20-,22+;20-,22-;19-;18-/m111111/s1
InChIKeyQJCMWMDRETYVFT-KTTMSMSWSA-N
MW2847.66 g/mol
LogP27.71
Rot. Bonds30

About cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine

cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine (PubChem CID 167649491) has the molecular formula C165H203F3N34O8 and a molecular weight of 2847.66 g/mol. Its IUPAC name is cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound Namecyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine
PubChem CID167649491
Molecular FormulaC165H203F3N34O8
Molecular Weight2847.66 g/mol
Exact Mass2845.65
IUPAC Namecyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)C5(C(F)(F)F)CC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)C5CCOCC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)[C@@H]5CCOC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)[C@H]5CCOC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(C(=O)C5CC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(c5cnn(C)c5)CC4)cc23)c1C
InChIInChI=1S/C29H37N5O2.C28H32F3N5O.2C28H35N5O2.C26H32N8.C26H32N6O/c1-19-6-5-7-25(20(19)2)21(3)30-28-27-18-24(8-9-26(27)22(4)31-32-28)33-12-14-34(15-13-33)29(35)23-10-16-36-17-11-23;1-17-6-5-7-22(18(17)2)19(3)32-25-24-16-21(8-9-23(24)20(4)33-34-25)35-12-14-36(15-13-35)26(37)27(10-11-27)28(29,30)31;2*1-18-6-5-7-24(19(18)2)20(3)29-27-26-16-23(8-9-25(26)21(4)30-31-27)32-11-13-33(14-12-32)28(34)22-10-15-35-17-22;1-17-7-6-8-22(18(17)2)19(3)29-26-23-13-25(27-15-24(23)20(4)30-31-26)34-11-9-33(10-12-34)21-14-28-32(5)16-21;1-16-6-5-7-21(17(16)2)18(3)28-25-22-14-24(27-15-23(22)19(4)29-30-25)31-10-12-32(13-11-31)26(33)20-8-9-20/h5-9,18,21,23H,10-17H2,1-4H3,(H,30,32);5-9,16,19H,10-15H2,1-4H3,(H,32,34);2*5-9,16,20,22H,10-15,17H2,1-4H3,(H,29,31);6-8,13-16,19H,9-12H2,1-5H3,(H,29,31);5-7,14-15,18,20H,8-13H2,1-4H3,(H,28,30)/t21-;19-;20-,22+;20-,22-;19-;18-/m111111/s1
InChIKeyQJCMWMDRETYVFT-KTTMSMSWSA-N
XLogP27.71
TPSA422.38 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002847.66
LogP ≤ 527.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine with MolForge

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Related Compounds

7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine
CID 159767721
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
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;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine
CID 161986248
1-[3-[7-(difluoromethyl)-6-[6-(4-piperazin-1-ylpiperidin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 177123428
1-[8-[4-[[1-[7-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]imidazo[1,2-a]pyridin-6-yl]piperidin-4-yl]methyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 177974942
3-[[5-[4-[2-[3-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyrrolo[3,2-c]pyridin-1-yl]acetyl]piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
CID 177974968
1-[3-[7-(difluoromethyl)-6-(4-piperazin-1-ylpyrrolo[1,2-a]pyrazin-8-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 177975172
1-[6-[1-[2-[3-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyrrolo[3,2-c]pyridin-1-yl]acetyl]piperidin-4-yl]-1-methyl-2,3-dihydroindol-3-yl]-1,3-diazinane-2,4-dione
CID 177975283
1-[6-[1-[2-[3-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyrrolo[3,2-c]pyridin-1-yl]acetyl]piperidin-4-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 177975493
cis-(1S,2S)-N-[8-(benzhydrylideneamino)-6-[1-(oxan-2-yl)-5-propan-2-ylpyrazol-4-yl]isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-(benzhydrylideneamino)-6-[1-(oxan-2-yl)-5-propan-2-ylpyrazol-4-yl]isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157853406
3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 158666224
3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane
CID 158894626

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine (CID 167649491) is cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine is Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)C5(C(F)(F)F)CC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)C5CCOCC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)[C@@H]5CCOC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)[C@H]5CCOC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(C(=O)C5CC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(c5cnn(C)c5)CC4)cc23)c1C.
What is the InChIKey of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine?
The InChIKey is QJCMWMDRETYVFT-KTTMSMSWSA-N. The full InChI is InChI=1S/C29H37N5O2.C28H32F3N5O.2C28H35N5O2.C26H32N8.C26H32N6O/c1-19-6-5-7-25(20(19)2)21(3)30-28-27-18-24(8-9-26(27)22(4)31-32-28)33-12-14-34(15-13-33)29(35)23-10-16-36-17-11-23;1-17-6-5-7-22(18(17)2)19(3)32-25-24-16-21(8-9-23(24)20(4)33-34-25)35-12-14-36(15-13-35)26(37)27(10-11-27)28(29,30)31;2*1-18-6-5-7-24(19(18)2)20(3)29-27-26-16-23(8-9-25(26)21(4)30-31-27)32-11-13-33(14-12-32)28(34)22-10-15-35-17-22;1-17-7-6-8-22(18(17)2)19(3)29-26-23-13-25(27-15-24(23)20(4)30-31-26)34-11-9-33(10-12-34)21-14-28-32(5)16-21;1-16-6-5-7-21(17(16)2)18(3)28-25-22-14-24(27-15-23(22)19(4)29-30-25)31-10-12-32(13-11-31)26(33)20-8-9-20/h5-9,18,21,23H,10-17H2,1-4H3,(H,30,32);5-9,16,19H,10-15H2,1-4H3,(H,32,34);2*5-9,16,20,22H,10-15,17H2,1-4H3,(H,29,31);6-8,13-16,19H,9-12H2,1-5H3,(H,29,31);5-7,14-15,18,20H,8-13H2,1-4H3,(H,28,30)/t21-;19-;20-,22+;20-,22-;19-;18-/m111111/s1.
What are the key properties of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine?
cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2847.66 g/mol, XLogP of 27.71, 30 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxan-4-yl)methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 167649491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).