2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C169H181F14N39O23S — CID 159487682

IUPAC2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cc(C(F)(F)F)ccn3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cc(CN(C)C)cc(C(F)(F)F)c3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)nc1N1CCOCC1.COc1ncc(-c2cc(NC(=O)c3ccnc(S(C)(=O)=O)c3)ccc2C)nc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C27H31F3N6O3.C25H29FN6O3.C24H26F2N6O3.C24H25F2N5O3.C23H23F3N6O3.C23H22F3N5O3.C23H25N5O5S/c1-5-39-26-24(36-6-8-38-9-7-36)34-23(15-32-26)22-13-21(14-31-17(22)2)33-25(37)19-10-18(16-35(3)4)11-20(12-19)27(28,29)30;1-5-35-24-22(32-8-10-34-11-9-32)31-20(15-29-24)19-13-18(14-28-16(19)2)30-23(33)17-6-7-27-21(12-17)25(3,4)26;1-4-35-23-21(32-7-9-34-10-8-32)31-19(14-29-23)18-12-17(13-28-15(18)2)30-22(33)16-5-6-27-20(11-16)24(3,25)26;1-15-4-5-17(28-22(32)16-6-7-27-21(12-16)24(2,25)26)13-18(15)19-14-20(23(33-3)30-29-19)31-8-10-34-11-9-31;1-3-35-22-20(32-6-8-34-9-7-32)31-19(13-29-22)17-11-16(12-28-14(17)2)30-21(33)18-10-15(4-5-27-18)23(24,25)26;1-14-3-4-16(28-21(32)15-5-6-27-20(11-15)23(24,25)26)12-17(14)18-13-19(22(33-2)30-29-18)31-7-9-34-10-8-31;1-15-4-5-17(26-22(29)16-6-7-24-20(12-16)34(3,30)31)13-18(15)19-14-25-23(32-2)21(27-19)28-8-10-33-11-9-28/h10-15H,5-9,16H2,1-4H3,(H,33,37);6-7,12-15H,5,8-11H2,1-4H3,(H,30,33);5-6,11-14H,4,7-10H2,1-3H3,(H,30,33);4-7,12-14H,8-11H2,1-3H3,(H,28,32);4-5,10-13H,3,6-9H2,1-2H3,(H,30,33);3-6,11-13H,7-10H2,1-2H3,(H,28,32);4-7,12-14H,8-11H2,1-3H3,(H,26,29)
InChIKeyLXUBUOSKFJMKSZ-UHFFFAOYSA-N
MW3424.60 g/mol
LogP26.31
Rot. Bonds45

About 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159487682) has the molecular formula C169H181F14N39O23S and a molecular weight of 3424.60 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID159487682
Molecular FormulaC169H181F14N39O23S
Molecular Weight3424.60 g/mol
Exact Mass3422.37
IUPAC Name2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cc(C(F)(F)F)ccn3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cc(CN(C)C)cc(C(F)(F)F)c3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)nc1N1CCOCC1.COc1ncc(-c2cc(NC(=O)c3ccnc(S(C)(=O)=O)c3)ccc2C)nc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C27H31F3N6O3.C25H29FN6O3.C24H26F2N6O3.C24H25F2N5O3.C23H23F3N6O3.C23H22F3N5O3.C23H25N5O5S/c1-5-39-26-24(36-6-8-38-9-7-36)34-23(15-32-26)22-13-21(14-31-17(22)2)33-25(37)19-10-18(16-35(3)4)11-20(12-19)27(28,29)30;1-5-35-24-22(32-8-10-34-11-9-32)31-20(15-29-24)19-13-18(14-28-16(19)2)30-23(33)17-6-7-27-21(12-17)25(3,4)26;1-4-35-23-21(32-7-9-34-10-8-32)31-19(14-29-23)18-12-17(13-28-15(18)2)30-22(33)16-5-6-27-20(11-16)24(3,25)26;1-15-4-5-17(28-22(32)16-6-7-27-21(12-16)24(2,25)26)13-18(15)19-14-20(23(33-3)30-29-19)31-8-10-34-11-9-31;1-3-35-22-20(32-6-8-34-9-7-32)31-19(13-29-22)17-11-16(12-28-14(17)2)30-21(33)18-10-15(4-5-27-18)23(24,25)26;1-14-3-4-16(28-21(32)15-5-6-27-20(11-15)23(24,25)26)12-17(14)18-13-19(22(33-2)30-29-18)31-7-9-34-10-8-31;1-15-4-5-17(26-22(29)16-6-7-24-20(12-16)34(3,30)31)13-18(15)19-14-25-23(32-2)21(27-19)28-8-10-33-11-9-28/h10-15H,5-9,16H2,1-4H3,(H,33,37);6-7,12-15H,5,8-11H2,1-4H3,(H,30,33);5-6,11-14H,4,7-10H2,1-3H3,(H,30,33);4-7,12-14H,8-11H2,1-3H3,(H,28,32);4-5,10-13H,3,6-9H2,1-2H3,(H,30,33);3-6,11-13H,7-10H2,1-2H3,(H,28,32);4-7,12-14H,8-11H2,1-3H3,(H,26,29)
InChIKeyLXUBUOSKFJMKSZ-UHFFFAOYSA-N
XLogP26.31
TPSA702.34 Ų
H-Bond Donors7
H-Bond Acceptors55
Rotatable Bonds45
Heavy Atoms246
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003424.60
LogP ≤ 526.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1055

Analyze 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 159487682) is 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CCOc1ncc(-c2cc(NC(=O)c3cc(C(F)(F)F)ccn3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cc(CN(C)C)cc(C(F)(F)F)c3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)nc1N1CCOCC1.COc1ncc(-c2cc(NC(=O)c3ccnc(S(C)(=O)=O)c3)ccc2C)nc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is LXUBUOSKFJMKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N6O3.C25H29FN6O3.C24H26F2N6O3.C24H25F2N5O3.C23H23F3N6O3.C23H22F3N5O3.C23H25N5O5S/c1-5-39-26-24(36-6-8-38-9-7-36)34-23(15-32-26)22-13-21(14-31-17(22)2)33-25(37)19-10-18(16-35(3)4)11-20(12-19)27(28,29)30;1-5-35-24-22(32-8-10-34-11-9-32)31-20(15-29-24)19-13-18(14-28-16(19)2)30-23(33)17-6-7-27-21(12-17)25(3,4)26;1-4-35-23-21(32-7-9-34-10-8-32)31-19(14-29-23)18-12-17(13-28-15(18)2)30-22(33)16-5-6-27-20(11-16)24(3,25)26;1-15-4-5-17(28-22(32)16-6-7-27-21(12-16)24(2,25)26)13-18(15)19-14-20(23(33-3)30-29-19)31-8-10-34-11-9-31;1-3-35-22-20(32-6-8-34-9-7-32)31-19(13-29-22)17-11-16(12-28-14(17)2)30-21(33)18-10-15(4-5-27-18)23(24,25)26;1-14-3-4-16(28-21(32)15-5-6-27-20(11-15)23(24,25)26)12-17(14)18-13-19(22(33-2)30-29-18)31-7-9-34-10-8-31;1-15-4-5-17(26-22(29)16-6-7-24-20(12-16)34(3,30)31)13-18(15)19-14-25-23(32-2)21(27-19)28-8-10-33-11-9-28/h10-15H,5-9,16H2,1-4H3,(H,33,37);6-7,12-15H,5,8-11H2,1-4H3,(H,30,33);5-6,11-14H,4,7-10H2,1-3H3,(H,30,33);4-7,12-14H,8-11H2,1-3H3,(H,28,32);4-5,10-13H,3,6-9H2,1-2H3,(H,30,33);3-6,11-13H,7-10H2,1-2H3,(H,28,32);4-7,12-14H,8-11H2,1-3H3,(H,26,29).
What are the key properties of 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 3424.60 g/mol, XLogP of 26.31, 45 rotatable bonds, 7 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 159487682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).