6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide

C191H209F4N29O28S2 — CID 157244629

IUPAC6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide
SMILESCCN1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc(N5CCOCC5)n(C)c(=O)c4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(-c3nnco3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(C(C)(C)S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(C3COC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
InChIInChI=1S/C31H36F3N5O3.C28H31FN4O4.C28H33N3O5S.C27H29N3O4.C26H28N6O3.C26H25N5O4.C25H27N3O5S/c1-4-37-7-9-38(10-8-37)26-16-23(15-24(19-26)31(32,33)34)30(41)35-25-6-5-21(2)27(20-25)22-17-28(36(3)29(40)18-22)39-11-13-42-14-12-39;1-19-3-4-23(30-28(35)21-13-22(29)17-24(14-21)32-5-9-36-10-6-32)18-25(19)20-15-26(31(2)27(34)16-20)33-7-11-37-12-8-33;1-19-9-10-23(29-27(33)20-7-6-8-22(15-20)28(2,3)37(5,34)35)18-24(19)21-16-25(30(4)26(32)17-21)31-11-13-36-14-12-31;1-18-6-7-23(28-27(32)20-5-3-4-19(12-20)22-16-34-17-22)15-24(18)21-13-25(29(2)26(31)14-21)30-8-10-33-11-9-30;1-17-5-6-20(29-25(34)19-11-22(30-28-15-19)26(2,3)16-27)14-21(17)18-12-23(31(4)24(33)13-18)32-7-9-35-10-8-32;1-17-6-7-21(28-25(33)18-4-3-5-19(12-18)26-29-27-16-35-26)15-22(17)20-13-23(30(2)24(32)14-20)31-8-10-34-11-9-31;1-17-7-8-20(26-25(30)18-5-4-6-21(13-18)34(3,31)32)16-22(17)19-14-23(27(2)24(29)15-19)28-9-11-33-12-10-28/h5-6,15-20H,4,7-14H2,1-3H3,(H,35,41);3-4,13-18H,5-12H2,1-2H3,(H,30,35);6-10,15-18H,11-14H2,1-5H3,(H,29,33);3-7,12-15,22H,8-11,16-17H2,1-2H3,(H,28,32);5-6,11-15H,7-10H2,1-4H3,(H,29,34);3-7,12-16H,8-11H2,1-2H3,(H,28,33);4-8,13-16H,9-12H2,1-3H3,(H,26,30)
InChIKeyAVPMLCNQWRVQGB-UHFFFAOYSA-N
MW3499.07 g/mol
LogP24.72
Rot. Bonds37

About 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide

6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide (PubChem CID 157244629) has the molecular formula C191H209F4N29O28S2 and a molecular weight of 3499.07 g/mol. Its IUPAC name is 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide.

Molecular Properties

Compound Name6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide
PubChem CID157244629
Molecular FormulaC191H209F4N29O28S2
Molecular Weight3499.07 g/mol
Exact Mass3496.52
IUPAC Name6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide
SMILESCCN1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc(N5CCOCC5)n(C)c(=O)c4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(-c3nnco3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(C(C)(C)S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(C3COC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
InChIInChI=1S/C31H36F3N5O3.C28H31FN4O4.C28H33N3O5S.C27H29N3O4.C26H28N6O3.C26H25N5O4.C25H27N3O5S/c1-4-37-7-9-38(10-8-37)26-16-23(15-24(19-26)31(32,33)34)30(41)35-25-6-5-21(2)27(20-25)22-17-28(36(3)29(40)18-22)39-11-13-42-14-12-39;1-19-3-4-23(30-28(35)21-13-22(29)17-24(14-21)32-5-9-36-10-6-32)18-25(19)20-15-26(31(2)27(34)16-20)33-7-11-37-12-8-33;1-19-9-10-23(29-27(33)20-7-6-8-22(15-20)28(2,3)37(5,34)35)18-24(19)21-16-25(30(4)26(32)17-21)31-11-13-36-14-12-31;1-18-6-7-23(28-27(32)20-5-3-4-19(12-20)22-16-34-17-22)15-24(18)21-13-25(29(2)26(31)14-21)30-8-10-33-11-9-30;1-17-5-6-20(29-25(34)19-11-22(30-28-15-19)26(2,3)16-27)14-21(17)18-12-23(31(4)24(33)13-18)32-7-9-35-10-8-32;1-17-6-7-21(28-25(33)18-4-3-5-19(12-18)26-29-27-16-35-26)15-22(17)20-13-23(30(2)24(32)14-20)31-8-10-34-11-9-31;1-17-7-8-20(26-25(30)18-5-4-6-21(13-18)34(3,31)32)16-22(17)19-14-23(27(2)24(29)15-19)28-9-11-33-12-10-28/h5-6,15-20H,4,7-14H2,1-3H3,(H,35,41);3-4,13-18H,5-12H2,1-2H3,(H,30,35);6-10,15-18H,11-14H2,1-5H3,(H,29,33);3-7,12-15,22H,8-11,16-17H2,1-2H3,(H,28,32);5-6,11-15H,7-10H2,1-4H3,(H,29,34);3-7,12-16H,8-11H2,1-2H3,(H,28,33);4-8,13-16H,9-12H2,1-3H3,(H,26,30)
InChIKeyAVPMLCNQWRVQGB-UHFFFAOYSA-N
XLogP24.72
TPSA629.94 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds37
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003499.07
LogP ≤ 524.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

Analyze 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridazine-4-carboxamide;2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide
CID 158202641
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 161519237

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide?
The IUPAC name of 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide (CID 157244629) is 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide.
What is the SMILES notation for 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide?
The canonical SMILES for 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide is CCN1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc(N5CCOCC5)n(C)c(=O)c4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(-c3nnco3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(C(C)(C)S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(C3COC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.
What is the InChIKey of 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide?
The InChIKey is AVPMLCNQWRVQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N5O3.C28H31FN4O4.C28H33N3O5S.C27H29N3O4.C26H28N6O3.C26H25N5O4.C25H27N3O5S/c1-4-37-7-9-38(10-8-37)26-16-23(15-24(19-26)31(32,33)34)30(41)35-25-6-5-21(2)27(20-25)22-17-28(36(3)29(40)18-22)39-11-13-42-14-12-39;1-19-3-4-23(30-28(35)21-13-22(29)17-24(14-21)32-5-9-36-10-6-32)18-25(19)20-15-26(31(2)27(34)16-20)33-7-11-37-12-8-33;1-19-9-10-23(29-27(33)20-7-6-8-22(15-20)28(2,3)37(5,34)35)18-24(19)21-16-25(30(4)26(32)17-21)31-11-13-36-14-12-31;1-18-6-7-23(28-27(32)20-5-3-4-19(12-20)22-16-34-17-22)15-24(18)21-13-25(29(2)26(31)14-21)30-8-10-33-11-9-30;1-17-5-6-20(29-25(34)19-11-22(30-28-15-19)26(2,3)16-27)14-21(17)18-12-23(31(4)24(33)13-18)32-7-9-35-10-8-32;1-17-6-7-21(28-25(33)18-4-3-5-19(12-18)26-29-27-16-35-26)15-22(17)20-13-23(30(2)24(32)14-20)31-8-10-34-11-9-31;1-17-7-8-20(26-25(30)18-5-4-6-21(13-18)34(3,31)32)16-22(17)19-14-23(27(2)24(29)15-19)28-9-11-33-12-10-28/h5-6,15-20H,4,7-14H2,1-3H3,(H,35,41);3-4,13-18H,5-12H2,1-2H3,(H,30,35);6-10,15-18H,11-14H2,1-5H3,(H,29,33);3-7,12-15,22H,8-11,16-17H2,1-2H3,(H,28,32);5-6,11-15H,7-10H2,1-4H3,(H,29,34);3-7,12-16H,8-11H2,1-2H3,(H,28,33);4-8,13-16H,9-12H2,1-3H3,(H,26,30).
What are the key properties of 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide?
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide has a molecular weight of 3499.07 g/mol, XLogP of 24.72, 37 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-fluoro-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-morpholin-4-ylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-(oxetan-3-yl)benzamide is sourced from PubChem (CID 157244629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).