1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone

C112H115F3N30O8S2 — CID 159348286

IUPAC1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(Nc2ccc(CCS(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1cccc2c1C=CC2.CC(=O)c1nnc(Nc2cnccn2)cc1NCc1cccc(-n2ccnc2)c1.CC(=O)c1nnc(Nc2cnn(C(C)C)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2cnn(C3CCCC3)c2)cc1NCc1cccc2ccsc12
InChIInChI=1S/C28H30N6O2.C23H24N6OS.C22H23FN4O3S.C20H18N8O.C19H20F2N6O/c1-19(35)28-26(29-18-22-7-3-5-21-6-4-8-25(21)22)17-27(31-32-28)30-23-9-11-24(12-10-23)34-15-13-33(14-16-34)20(2)36;1-15(30)22-20(24-12-17-6-4-5-16-9-10-31-23(16)17)11-21(27-28-22)26-18-13-25-29(14-18)19-7-2-3-8-19;1-15(28)22-20(24-14-17-4-3-5-18(23)12-17)13-21(26-27-22)25-19-8-6-16(7-9-19)10-11-31(2,29)30;1-14(29)20-17(10-18(26-27-20)25-19-12-21-5-6-23-19)24-11-15-3-2-4-16(9-15)28-8-7-22-13-28;1-11(2)27-10-14(9-23-27)24-17-7-16(19(12(3)28)26-25-17)22-8-13-5-4-6-15(20)18(13)21/h3-5,7-12,17H,6,13-16,18H2,1-2H3,(H2,29,30,31);4-6,9-11,13-14,19H,2-3,7-8,12H2,1H3,(H2,24,26,27);3-9,12-13H,10-11,14H2,1-2H3,(H2,24,25,26);2-10,12-13H,11H2,1H3,(H2,23,24,25,26);4-7,9-11H,8H2,1-3H3,(H2,22,24,25)
InChIKeyLGZTYCJYIGWSAW-UHFFFAOYSA-N
MW2130.48 g/mol
LogP20.70
Rot. Bonds37

About 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone

1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone (PubChem CID 159348286) has the molecular formula C112H115F3N30O8S2 and a molecular weight of 2130.48 g/mol. Its IUPAC name is 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone
PubChem CID159348286
Molecular FormulaC112H115F3N30O8S2
Molecular Weight2130.48 g/mol
Exact Mass2128.89
IUPAC Name1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(Nc2ccc(CCS(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1cccc2c1C=CC2.CC(=O)c1nnc(Nc2cnccn2)cc1NCc1cccc(-n2ccnc2)c1.CC(=O)c1nnc(Nc2cnn(C(C)C)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2cnn(C3CCCC3)c2)cc1NCc1cccc2ccsc12
InChIInChI=1S/C28H30N6O2.C23H24N6OS.C22H23FN4O3S.C20H18N8O.C19H20F2N6O/c1-19(35)28-26(29-18-22-7-3-5-21-6-4-8-25(21)22)17-27(31-32-28)30-23-9-11-24(12-10-23)34-15-13-33(14-16-34)20(2)36;1-15(30)22-20(24-12-17-6-4-5-16-9-10-31-23(16)17)11-21(27-28-22)26-18-13-25-29(14-18)19-7-2-3-8-19;1-15(28)22-20(24-14-17-4-3-5-18(23)12-17)13-21(26-27-22)25-19-8-6-16(7-9-19)10-11-31(2,29)30;1-14(29)20-17(10-18(26-27-20)25-19-12-21-5-6-23-19)24-11-15-3-2-4-16(9-15)28-8-7-22-13-28;1-11(2)27-10-14(9-23-27)24-17-7-16(19(12(3)28)26-25-17)22-8-13-5-4-6-15(20)18(13)21/h3-5,7-12,17H,6,13-16,18H2,1-2H3,(H2,29,30,31);4-6,9-11,13-14,19H,2-3,7-8,12H2,1H3,(H2,24,26,27);3-9,12-13H,10-11,14H2,1-2H3,(H2,24,25,26);2-10,12-13H,11H2,1H3,(H2,23,24,25,26);4-7,9-11H,8H2,1-3H3,(H2,22,24,25)
InChIKeyLGZTYCJYIGWSAW-UHFFFAOYSA-N
XLogP20.70
TPSA471.48 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002130.48
LogP ≤ 520.70
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone with MolForge

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Related Compounds

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)-4H-pyrazol-1-ium-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 157646883
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 159180446
bis(3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide);3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide
CID 160412295
5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 160557562
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 161819452
2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 162070667
4-[[4-[4-(4-acetylpiperazin-1-yl)-N-[6-carbamoyl-5-(1H-indol-4-ylmethylamino)pyridazin-3-yl]anilino]-1-benzothiophen-7-yl]methylamino]-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazine-3-carboxamide
CID 129276766
1-[6-[4-(4-Acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-pyridin-3-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfinylmethyl)anilino]pyridazin-3-yl]ethanone
CID 157223931
7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-1-benzothiophen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157321672
1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone
CID 157373744
1-[4-(1-Benzothiophen-7-ylmethylamino)-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[6-[(1-cyclopentylpyrazol-4-yl)amino]-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[(1-ethylpyrazol-4-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone
CID 157840028
2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide
CID 157843785

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone?
The IUPAC name of 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone (CID 159348286) is 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2ccc(CCS(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1cccc2c1C=CC2.CC(=O)c1nnc(Nc2cnccn2)cc1NCc1cccc(-n2ccnc2)c1.CC(=O)c1nnc(Nc2cnn(C(C)C)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2cnn(C3CCCC3)c2)cc1NCc1cccc2ccsc12.
What is the InChIKey of 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone?
The InChIKey is LGZTYCJYIGWSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2.C23H24N6OS.C22H23FN4O3S.C20H18N8O.C19H20F2N6O/c1-19(35)28-26(29-18-22-7-3-5-21-6-4-8-25(21)22)17-27(31-32-28)30-23-9-11-24(12-10-23)34-15-13-33(14-16-34)20(2)36;1-15(30)22-20(24-12-17-6-4-5-16-9-10-31-23(16)17)11-21(27-28-22)26-18-13-25-29(14-18)19-7-2-3-8-19;1-15(28)22-20(24-14-17-4-3-5-18(23)12-17)13-21(26-27-22)25-19-8-6-16(7-9-19)10-11-31(2,29)30;1-14(29)20-17(10-18(26-27-20)25-19-12-21-5-6-23-19)24-11-15-3-2-4-16(9-15)28-8-7-22-13-28;1-11(2)27-10-14(9-23-27)24-17-7-16(19(12(3)28)26-25-17)22-8-13-5-4-6-15(20)18(13)21/h3-5,7-12,17H,6,13-16,18H2,1-2H3,(H2,29,30,31);4-6,9-11,13-14,19H,2-3,7-8,12H2,1H3,(H2,24,26,27);3-9,12-13H,10-11,14H2,1-2H3,(H2,24,25,26);2-10,12-13H,11H2,1H3,(H2,23,24,25,26);4-7,9-11H,8H2,1-3H3,(H2,22,24,25).
What are the key properties of 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone?
1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone has a molecular weight of 2130.48 g/mol, XLogP of 20.70, 37 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1H-inden-4-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[(1-cyclopentylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-imidazol-1-ylphenyl)methylamino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone is sourced from PubChem (CID 159348286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).