1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone

C127H143F5N34O11S2 — CID 160932965

IUPAC1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(Nc2ccc(CS(C)(=O)=O)cc2)cc1NCc1cccc(-c2ccncc2)c1.CC(=O)c1nnc(Nc2cnn(CC3CCN(C(=O)N(C)C)CC3)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2cnn(CC3CCN(C(C)=O)CC3)c2)cc1NCc1cccc(F)c1.CCC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc(F)c4F)c(C(C)=O)nn3)cn2)CC1.CCC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc5ccsc45)c(C(C)=O)nn3)cn2)CC1
InChIInChI=1S/C27H31N7O2S.C26H25N5O3S.C25H30F2N8O2.C25H29F2N7O2.C24H28FN7O2/c1-3-25(36)33-10-7-19(8-11-33)16-34-17-22(15-29-34)30-24-13-23(26(18(2)35)32-31-24)28-14-21-6-4-5-20-9-12-37-27(20)21;1-18(32)26-24(28-16-20-4-3-5-22(14-20)21-10-12-27-13-11-21)15-25(30-31-26)29-23-8-6-19(7-9-23)17-35(2,33)34;1-16(36)24-21(28-12-18-5-4-6-20(26)23(18)27)11-22(31-32-24)30-19-13-29-35(15-19)14-17-7-9-34(10-8-17)25(37)33(2)3;1-3-23(36)33-9-7-17(8-10-33)14-34-15-19(13-29-34)30-22-11-21(25(16(2)35)32-31-22)28-12-18-5-4-6-20(26)24(18)27;1-16(33)24-22(26-12-19-4-3-5-20(25)10-19)11-23(29-30-24)28-21-13-27-32(15-21)14-18-6-8-31(9-7-18)17(2)34/h4-6,9,12-13,15,17,19H,3,7-8,10-11,14,16H2,1-2H3,(H2,28,30,31);3-15H,16-17H2,1-2H3,(H2,28,29,30);4-6,11,13,15,17H,7-10,12,14H2,1-3H3,(H2,28,30,31);4-6,11,13,15,17H,3,7-10,12,14H2,1-2H3,(H2,28,30,31);3-5,10-11,13,15,18H,6-9,12,14H2,1-2H3,(H2,26,28,29)
InChIKeySTMQPUNUYHNPBR-UHFFFAOYSA-N
MW2480.89 g/mol
LogP21.43
Rot. Bonds43

About 1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone

1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone (PubChem CID 160932965) has the molecular formula C127H143F5N34O11S2 and a molecular weight of 2480.89 g/mol. Its IUPAC name is 1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone
PubChem CID160932965
Molecular FormulaC127H143F5N34O11S2
Molecular Weight2480.89 g/mol
Exact Mass2479.10
IUPAC Name1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(Nc2ccc(CS(C)(=O)=O)cc2)cc1NCc1cccc(-c2ccncc2)c1.CC(=O)c1nnc(Nc2cnn(CC3CCN(C(=O)N(C)C)CC3)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2cnn(CC3CCN(C(C)=O)CC3)c2)cc1NCc1cccc(F)c1.CCC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc(F)c4F)c(C(C)=O)nn3)cn2)CC1.CCC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc5ccsc45)c(C(C)=O)nn3)cn2)CC1
InChIInChI=1S/C27H31N7O2S.C26H25N5O3S.C25H30F2N8O2.C25H29F2N7O2.C24H28FN7O2/c1-3-25(36)33-10-7-19(8-11-33)16-34-17-22(15-29-34)30-24-13-23(26(18(2)35)32-31-24)28-14-21-6-4-5-20-9-12-37-27(20)21;1-18(32)26-24(28-16-20-4-3-5-22(14-20)21-10-12-27-13-11-21)15-25(30-31-26)29-23-8-6-19(7-9-23)17-35(2,33)34;1-16(36)24-21(28-12-18-5-4-6-20(26)23(18)27)11-22(31-32-24)30-19-13-29-35(15-19)14-17-7-9-34(10-8-17)25(37)33(2)3;1-3-23(36)33-9-7-17(8-10-33)14-34-15-19(13-29-34)30-22-11-21(25(16(2)35)32-31-22)28-12-18-5-4-6-20(26)24(18)27;1-16(33)24-22(26-12-19-4-3-5-20(25)10-19)11-23(29-30-24)28-21-13-27-32(15-21)14-18-6-8-31(9-7-18)17(2)34/h4-6,9,12-13,15,17,19H,3,7-8,10-11,14,16H2,1-2H3,(H2,28,30,31);3-15H,16-17H2,1-2H3,(H2,28,29,30);4-6,11,13,15,17H,7-10,12,14H2,1-3H3,(H2,28,30,31);4-6,11,13,15,17H,3,7-10,12,14H2,1-2H3,(H2,28,30,31);3-5,10-11,13,15,18H,6-9,12,14H2,1-2H3,(H2,26,28,29)
InChIKeySTMQPUNUYHNPBR-UHFFFAOYSA-N
XLogP21.43
TPSA537.34 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds43
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002480.89
LogP ≤ 521.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze 1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone with MolForge

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[6-(cyclopropanecarbonylamino)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[6-(2-methylpropanoylamino)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 159079721
1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 159322771
CID 160108417
CID 160108417
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
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[6-(cyclopropanecarbonylamino)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[6-[2-(dimethylamino)ethyl-methylsulfonylamino]-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 160893913
N-[(1S)-1-[2-(4-acetylpiperidin-1-yl)-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-methoxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 161807319
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
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
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
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-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-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 158113899

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone?
The IUPAC name of 1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone (CID 160932965) is 1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2ccc(CS(C)(=O)=O)cc2)cc1NCc1cccc(-c2ccncc2)c1.CC(=O)c1nnc(Nc2cnn(CC3CCN(C(=O)N(C)C)CC3)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2cnn(CC3CCN(C(C)=O)CC3)c2)cc1NCc1cccc(F)c1.CCC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc(F)c4F)c(C(C)=O)nn3)cn2)CC1.CCC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc5ccsc45)c(C(C)=O)nn3)cn2)CC1.
What is the InChIKey of 1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone?
The InChIKey is STMQPUNUYHNPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2S.C26H25N5O3S.C25H30F2N8O2.C25H29F2N7O2.C24H28FN7O2/c1-3-25(36)33-10-7-19(8-11-33)16-34-17-22(15-29-34)30-24-13-23(26(18(2)35)32-31-24)28-14-21-6-4-5-20-9-12-37-27(20)21;1-18(32)26-24(28-16-20-4-3-5-22(14-20)21-10-12-27-13-11-21)15-25(30-31-26)29-23-8-6-19(7-9-23)17-35(2,33)34;1-16(36)24-21(28-12-18-5-4-6-20(26)23(18)27)11-22(31-32-24)30-19-13-29-35(15-19)14-17-7-9-34(10-8-17)25(37)33(2)3;1-3-23(36)33-9-7-17(8-10-33)14-34-15-19(13-29-34)30-22-11-21(25(16(2)35)32-31-22)28-12-18-5-4-6-20(26)24(18)27;1-16(33)24-22(26-12-19-4-3-5-20(25)10-19)11-23(29-30-24)28-21-13-27-32(15-21)14-18-6-8-31(9-7-18)17(2)34/h4-6,9,12-13,15,17,19H,3,7-8,10-11,14,16H2,1-2H3,(H2,28,30,31);3-15H,16-17H2,1-2H3,(H2,28,29,30);4-6,11,13,15,17H,7-10,12,14H2,1-3H3,(H2,28,30,31);4-6,11,13,15,17H,3,7-10,12,14H2,1-2H3,(H2,28,30,31);3-5,10-11,13,15,18H,6-9,12,14H2,1-2H3,(H2,26,28,29).
What are the key properties of 1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone?
1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone has a molecular weight of 2480.89 g/mol, XLogP of 21.43, 43 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[[6-acetyl-5-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]pyrazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(methylsulfonylmethyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone is sourced from PubChem (CID 160932965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).