3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C174H133F21N34O12 — CID 159517308

IUPAC3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(-c2cn(C)nc2C)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(-c2cnn(C)c2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(-n2ccc(=O)cc2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(-c2ccncc2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CC(O)C2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(C#N)c1
InChIInChI=1S/C29H27F3N6O.C26H17F3N4O2.C25H18F3N5O.C25H16F3N5O.C24H20F3N5O2.C23H18F3N5O2.C22H17F3N4O3/c1-16-6-7-23(36-27(39)18-9-21(28(3,4)34)11-22(10-18)29(30,31)32)12-24(16)20-8-19(13-33)26(35-14-20)25-15-38(5)37-17(25)2;1-16-5-6-21(32-25(35)17-3-2-4-20(12-17)26(27,28)29)13-23(16)19-11-18(14-30)24(31-15-19)33-9-7-22(34)8-10-33;1-15-6-7-21(32-24(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)18-8-17(11-29)23(30-12-18)19-13-31-33(2)14-19;1-15-22(19-9-18(12-29)23(32-13-19)16-5-7-30-8-6-16)11-21(14-31-15)33-24(34)17-3-2-4-20(10-17)25(26,27)28;1-15-21(18-9-17(12-28)22(30-13-18)32-5-7-34-8-6-32)11-20(14-29-15)31-23(33)16-3-2-4-19(10-16)24(25,26)27;1-13-20(16-5-15(8-27)21(29-9-16)31-11-19(32)12-31)7-18(10-28-13)30-22(33)14-3-2-4-17(6-14)23(24,25)26;1-13-19(16-7-15(10-26)21(28-11-16)32-6-5-30)9-18(12-27-13)29-20(31)14-3-2-4-17(8-14)22(23,24)25/h6-12,14-15H,34H2,1-5H3,(H,36,39);2-13,15H,1H3,(H,32,35);3-10,12-14H,1-2H3,(H,32,34);2-11,13-14H,1H3,(H,33,34);2-4,9-11,13-14H,5-8H2,1H3,(H,31,33);2-7,9-10,19,32H,11-12H2,1H3,(H,30,33);2-4,7-9,11-12,30H,5-6H2,1H3,(H,29,31)
InChIKeyMBJCBTOKZXJAOZ-UHFFFAOYSA-N
MW3291.16 g/mol
LogP34.88
Rot. Bonds31

About 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 159517308) has the molecular formula C174H133F21N34O12 and a molecular weight of 3291.16 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID159517308
Molecular FormulaC174H133F21N34O12
Molecular Weight3291.16 g/mol
Exact Mass3289.05
IUPAC Name3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(-c2cn(C)nc2C)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(-c2cnn(C)c2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(-n2ccc(=O)cc2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(-c2ccncc2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CC(O)C2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(C#N)c1
InChIInChI=1S/C29H27F3N6O.C26H17F3N4O2.C25H18F3N5O.C25H16F3N5O.C24H20F3N5O2.C23H18F3N5O2.C22H17F3N4O3/c1-16-6-7-23(36-27(39)18-9-21(28(3,4)34)11-22(10-18)29(30,31)32)12-24(16)20-8-19(13-33)26(35-14-20)25-15-38(5)37-17(25)2;1-16-5-6-21(32-25(35)17-3-2-4-20(12-17)26(27,28)29)13-23(16)19-11-18(14-30)24(31-15-19)33-9-7-22(34)8-10-33;1-15-6-7-21(32-24(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)18-8-17(11-29)23(30-12-18)19-13-31-33(2)14-19;1-15-22(19-9-18(12-29)23(32-13-19)16-5-7-30-8-6-16)11-21(14-31-15)33-24(34)17-3-2-4-20(10-17)25(26,27)28;1-15-21(18-9-17(12-28)22(30-13-18)32-5-7-34-8-6-32)11-20(14-29-15)31-23(33)16-3-2-4-19(10-16)24(25,26)27;1-13-20(16-5-15(8-27)21(29-9-16)31-11-19(32)12-31)7-18(10-28-13)30-22(33)14-3-2-4-17(6-14)23(24,25)26;1-13-19(16-7-15(10-26)21(28-11-16)32-6-5-30)9-18(12-27-13)29-20(31)14-3-2-4-17(8-14)22(23,24)25/h6-12,14-15H,34H2,1-5H3,(H,36,39);2-13,15H,1H3,(H,32,35);3-10,12-14H,1-2H3,(H,32,34);2-11,13-14H,1H3,(H,33,34);2-4,9-11,13-14H,5-8H2,1H3,(H,31,33);2-7,9-10,19,32H,11-12H2,1H3,(H,30,33);2-4,7-9,11-12,30H,5-6H2,1H3,(H,29,31)
InChIKeyMBJCBTOKZXJAOZ-UHFFFAOYSA-N
XLogP34.88
TPSA673.97 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds31
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003291.16
LogP ≤ 534.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Analyze 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

[5-Methyl-2-(1-methylpyrazol-4-yl)phenyl]-[3-[2-[1-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123175965
6-(2-cyanopropan-2-yl)-N-[3-[4-[[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-3-[4-[[4-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]oxan-2-yl]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]oxan-2-yl]-4-methyl-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
CID 130425662
6-(2-cyanopropan-2-yl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 157072500
N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157194733
3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 157585421
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157591436
3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 157623051
2-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 157715087
2-(2-cyanopropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 158076394
2-(2-cyanopropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158114370
2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158572330
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide;N-[5-[6-[(3S,4S)-3-methoxyoxan-4-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 159018055

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 159517308) is 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(-c2cn(C)nc2C)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(-c2cnn(C)c2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(-n2ccc(=O)cc2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(-c2ccncc2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CC(O)C2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(C#N)c1.
What is the InChIKey of 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is MBJCBTOKZXJAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N6O.C26H17F3N4O2.C25H18F3N5O.C25H16F3N5O.C24H20F3N5O2.C23H18F3N5O2.C22H17F3N4O3/c1-16-6-7-23(36-27(39)18-9-21(28(3,4)34)11-22(10-18)29(30,31)32)12-24(16)20-8-19(13-33)26(35-14-20)25-15-38(5)37-17(25)2;1-16-5-6-21(32-25(35)17-3-2-4-20(12-17)26(27,28)29)13-23(16)19-11-18(14-30)24(31-15-19)33-9-7-22(34)8-10-33;1-15-6-7-21(32-24(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)18-8-17(11-29)23(30-12-18)19-13-31-33(2)14-19;1-15-22(19-9-18(12-29)23(32-13-19)16-5-7-30-8-6-16)11-21(14-31-15)33-24(34)17-3-2-4-20(10-17)25(26,27)28;1-15-21(18-9-17(12-28)22(30-13-18)32-5-7-34-8-6-32)11-20(14-29-15)31-23(33)16-3-2-4-19(10-16)24(25,26)27;1-13-20(16-5-15(8-27)21(29-9-16)31-11-19(32)12-31)7-18(10-28-13)30-22(33)14-3-2-4-17(6-14)23(24,25)26;1-13-19(16-7-15(10-26)21(28-11-16)32-6-5-30)9-18(12-27-13)29-20(31)14-3-2-4-17(8-14)22(23,24)25/h6-12,14-15H,34H2,1-5H3,(H,36,39);2-13,15H,1H3,(H,32,35);3-10,12-14H,1-2H3,(H,32,34);2-11,13-14H,1H3,(H,33,34);2-4,9-11,13-14H,5-8H2,1H3,(H,31,33);2-7,9-10,19,32H,11-12H2,1H3,(H,30,33);2-4,7-9,11-12,30H,5-6H2,1H3,(H,29,31).
What are the key properties of 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 3291.16 g/mol, XLogP of 34.88, 31 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159517308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).