2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C153H151F9N30O16S — CID 157480854

IUPAC2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cc(CN(C)C)cc(C(F)(F)F)c2)cc1-c1ccc(C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(S(C)(=O)=O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1ccc(C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ncc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C28H28F3N5O2.C26H27N5O2.C25H21F3N4O2.C25H24F3N3O4S.C25H25N7O3.C24H26N6O3/c1-18-25(20-4-5-21(15-32)26(13-20)36-6-8-38-9-7-36)14-24(16-33-18)34-27(37)22-10-19(17-35(2)3)11-23(12-22)28(29,30)31;1-17(2)24-12-20(6-7-28-24)26(32)30-22-14-23(18(3)29-16-22)19-4-5-21(15-27)25(13-19)31-8-10-33-11-9-31;1-16-22(17-5-6-19(14-29)23(12-17)32-7-9-34-10-8-32)13-21(15-30-16)31-24(33)18-3-2-4-20(11-18)25(26,27)28;1-16-21(17-6-7-23(36(2,33)34)22(13-17)31-8-10-35-11-9-31)14-20(15-29-16)30-24(32)18-4-3-5-19(12-18)25(26,27)28;1-16-19(20-13-21(24(34)31(2)30-20)32-7-9-35-10-8-32)12-18(14-28-16)29-23(33)17-3-6-27-22(11-17)25(15-26)4-5-25;1-15-19(21-13-22(24(32)29(2)28-21)30-7-9-33-10-8-30)12-18(14-26-15)27-23(31)17-5-6-25-20(11-17)16-3-4-16/h4-5,10-14,16H,6-9,17H2,1-3H3,(H,34,37);4-7,12-14,16-17H,8-11H2,1-3H3,(H,30,32);2-6,11-13,15H,7-10H2,1H3,(H,31,33);3-7,12-15H,8-11H2,1-2H3,(H,30,32);3,6,11-14H,4-5,7-10H2,1-2H3,(H,29,33);5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,27,31)
InChIKeyBWDIRJJRUNXBEJ-UHFFFAOYSA-N
MW2869.13 g/mol
LogP23.94
Rot. Bonds30

About 2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 157480854) has the molecular formula C153H151F9N30O16S and a molecular weight of 2869.13 g/mol. Its IUPAC name is 2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID157480854
Molecular FormulaC153H151F9N30O16S
Molecular Weight2869.13 g/mol
Exact Mass2867.15
IUPAC Name2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cc(CN(C)C)cc(C(F)(F)F)c2)cc1-c1ccc(C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(S(C)(=O)=O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1ccc(C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ncc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C28H28F3N5O2.C26H27N5O2.C25H21F3N4O2.C25H24F3N3O4S.C25H25N7O3.C24H26N6O3/c1-18-25(20-4-5-21(15-32)26(13-20)36-6-8-38-9-7-36)14-24(16-33-18)34-27(37)22-10-19(17-35(2)3)11-23(12-22)28(29,30)31;1-17(2)24-12-20(6-7-28-24)26(32)30-22-14-23(18(3)29-16-22)19-4-5-21(15-27)25(13-19)31-8-10-33-11-9-31;1-16-22(17-5-6-19(14-29)23(12-17)32-7-9-34-10-8-32)13-21(15-30-16)31-24(33)18-3-2-4-20(11-18)25(26,27)28;1-16-21(17-6-7-23(36(2,33)34)22(13-17)31-8-10-35-11-9-31)14-20(15-29-16)30-24(32)18-4-3-5-19(12-18)25(26,27)28;1-16-19(20-13-21(24(34)31(2)30-20)32-7-9-35-10-8-32)12-18(14-28-16)29-23(33)17-3-6-27-22(11-17)25(15-26)4-5-25;1-15-19(21-13-22(24(32)29(2)28-21)30-7-9-33-10-8-30)12-18(14-26-15)27-23(31)17-5-6-25-20(11-17)16-3-4-16/h4-5,10-14,16H,6-9,17H2,1-3H3,(H,34,37);4-7,12-14,16-17H,8-11H2,1-3H3,(H,30,32);2-6,11-13,15H,7-10H2,1H3,(H,31,33);3-7,12-15H,8-11H2,1-2H3,(H,30,32);3,6,11-14H,4-5,7-10H2,1-2H3,(H,29,33);5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,27,31)
InChIKeyBWDIRJJRUNXBEJ-UHFFFAOYSA-N
XLogP23.94
TPSA567.75 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds30
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002869.13
LogP ≤ 523.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Analyze 2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

3-(cyanomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide;2-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide;2-(2-fluoropropan-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]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-methyl-6-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-4-morpholin-4-ylpyridazin-3-one
CID 157402875
2-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;3-(cyanomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide;2-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide;2-(2-fluoropropan-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]-2-(trifluoromethyl)pyridine-4-carboxamide;2-methyl-6-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-4-morpholin-4-ylpyridazin-3-one
CID 157935136
2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-4-morpholin-4-yl-6-oxo-2-pyridinyl)phenyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 158181326
N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide
CID 159092193
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide;2-(difluoromethyl)-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-oxo-3-pyridinyl)phenyl]-3-methylsulfonylbenzamide
CID 160913096

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 157480854) is 2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cc(CN(C)C)cc(C(F)(F)F)c2)cc1-c1ccc(C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(S(C)(=O)=O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1ccc(C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ncc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.
What is the InChIKey of 2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BWDIRJJRUNXBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O2.C26H27N5O2.C25H21F3N4O2.C25H24F3N3O4S.C25H25N7O3.C24H26N6O3/c1-18-25(20-4-5-21(15-32)26(13-20)36-6-8-38-9-7-36)14-24(16-33-18)34-27(37)22-10-19(17-35(2)3)11-23(12-22)28(29,30)31;1-17(2)24-12-20(6-7-28-24)26(32)30-22-14-23(18(3)29-16-22)19-4-5-21(15-27)25(13-19)31-8-10-33-11-9-31;1-16-22(17-5-6-19(14-29)23(12-17)32-7-9-34-10-8-32)13-21(15-30-16)31-24(33)18-3-2-4-20(11-18)25(26,27)28;1-16-21(17-6-7-23(36(2,33)34)22(13-17)31-8-10-35-11-9-31)14-20(15-29-16)30-24(32)18-4-3-5-19(12-18)25(26,27)28;1-16-19(20-13-21(24(34)31(2)30-20)32-7-9-35-10-8-32)12-18(14-28-16)29-23(33)17-3-6-27-22(11-17)25(15-26)4-5-25;1-15-19(21-13-22(24(32)29(2)28-21)30-7-9-33-10-8-30)12-18(14-26-15)27-23(31)17-5-6-25-20(11-17)16-3-4-16/h4-5,10-14,16H,6-9,17H2,1-3H3,(H,34,37);4-7,12-14,16-17H,8-11H2,1-3H3,(H,30,32);2-6,11-13,15H,7-10H2,1H3,(H,31,33);3-7,12-15H,8-11H2,1-2H3,(H,30,32);3,6,11-14H,4-5,7-10H2,1-2H3,(H,29,33);5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,27,31).
What are the key properties of 2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2869.13 g/mol, XLogP of 23.94, 30 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157480854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).