2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide

C176H154F13N59O8 — CID 158331342

IUPAC2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2c(C)nn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2C)nc(C(F)(F)F)n1.Cc1cc(-c2cn(CC(=O)Nc3ccc(-c4cnccn4)cn3)nc2C)ccn1.Cc1cc(-c2cn(CC(=O)Nc3ccc(-c4cncnc4)cn3)nc2C)ccn1.Cc1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C(F)(F)F)c2)c1C.Cc1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C(F)(F)F)c2)c1C.Cc1nn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c(C)c1-c1ccnc(N)c1.Cc1nn(CC(=O)Nc2ncc(-c3cnccn3)cc2F)c(C)c1-c1ccnc(C(F)(F)F)c1.[C-]#[N+]c1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C)c2)c1C
InChIInChI=1S/2C23H20F3N7O.C23H20N8O.C22H17F4N7O.C22H19F3N8O.C21H20N8O.2C21H19N7O/c2*1-13-8-17(18-11-27-6-7-28-18)10-30-22(13)31-20(34)12-33-15(3)21(14(2)32-33)16-4-5-29-19(9-16)23(24,25)26;1-14-9-17(5-6-26-14)22-15(2)30-31(16(22)3)13-21(32)29-23-19(24-4)10-18(11-28-23)20-12-25-7-8-27-20;1-12-20(14-3-4-29-18(8-14)22(24,25)26)13(2)33(32-12)11-19(34)31-21-16(23)7-15(9-30-21)17-10-27-5-6-28-17;1-12-8-16(30-21(29-12)22(23,24)25)20-13(2)32-33(14(20)3)11-19(34)31-18-5-4-15(9-28-18)17-10-26-6-7-27-17;1-13-21(15-5-6-25-18(22)9-15)14(2)29(28-13)12-20(30)27-19-4-3-16(10-26-19)17-11-23-7-8-24-17;1-14-7-16(5-6-24-14)19-11-28(27-15(19)2)12-21(29)26-20-4-3-17(10-25-20)18-8-22-13-23-9-18;1-14-9-16(5-6-23-14)18-12-28(27-15(18)2)13-21(29)26-20-4-3-17(10-25-20)19-11-22-7-8-24-19/h2*4-11H,12H2,1-3H3,(H,30,31,34);5-12H,13H2,1-3H3,(H,28,29,32);3-10H,11H2,1-2H3,(H,30,31,34);4-10H,11H2,1-3H3,(H,28,31,34);3-11H,12H2,1-2H3,(H2,22,25)(H,26,27,30);3-11,13H,12H2,1-2H3,(H,25,26,29);3-12H,13H2,1-2H3,(H,25,26,29)
InChIKeyGQAWWHSKRAGWNL-UHFFFAOYSA-N
MW3470.55 g/mol
LogP29.40
Rot. Bonds40

About 2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide

2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide (PubChem CID 158331342) has the molecular formula C176H154F13N59O8 and a molecular weight of 3470.55 g/mol. Its IUPAC name is 2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
PubChem CID158331342
Molecular FormulaC176H154F13N59O8
Molecular Weight3470.55 g/mol
Exact Mass3468.32
IUPAC Name2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2c(C)nn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2C)nc(C(F)(F)F)n1.Cc1cc(-c2cn(CC(=O)Nc3ccc(-c4cnccn4)cn3)nc2C)ccn1.Cc1cc(-c2cn(CC(=O)Nc3ccc(-c4cncnc4)cn3)nc2C)ccn1.Cc1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C(F)(F)F)c2)c1C.Cc1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C(F)(F)F)c2)c1C.Cc1nn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c(C)c1-c1ccnc(N)c1.Cc1nn(CC(=O)Nc2ncc(-c3cnccn3)cc2F)c(C)c1-c1ccnc(C(F)(F)F)c1.[C-]#[N+]c1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C)c2)c1C
InChIInChI=1S/2C23H20F3N7O.C23H20N8O.C22H17F4N7O.C22H19F3N8O.C21H20N8O.2C21H19N7O/c2*1-13-8-17(18-11-27-6-7-28-18)10-30-22(13)31-20(34)12-33-15(3)21(14(2)32-33)16-4-5-29-19(9-16)23(24,25)26;1-14-9-17(5-6-26-14)22-15(2)30-31(16(22)3)13-21(32)29-23-19(24-4)10-18(11-28-23)20-12-25-7-8-27-20;1-12-20(14-3-4-29-18(8-14)22(24,25)26)13(2)33(32-12)11-19(34)31-21-16(23)7-15(9-30-21)17-10-27-5-6-28-17;1-12-8-16(30-21(29-12)22(23,24)25)20-13(2)32-33(14(20)3)11-19(34)31-18-5-4-15(9-28-18)17-10-26-6-7-27-17;1-13-21(15-5-6-25-18(22)9-15)14(2)29(28-13)12-20(30)27-19-4-3-16(10-26-19)17-11-23-7-8-24-17;1-14-7-16(5-6-24-14)19-11-28(27-15(19)2)12-21(29)26-20-4-3-17(10-25-20)18-8-22-13-23-9-18;1-14-9-16(5-6-23-14)18-12-28(27-15(18)2)13-21(29)26-20-4-3-17(10-25-20)19-11-22-7-8-24-19/h2*4-11H,12H2,1-3H3,(H,30,31,34);5-12H,13H2,1-3H3,(H,28,29,32);3-10H,11H2,1-2H3,(H,30,31,34);4-10H,11H2,1-3H3,(H,28,31,34);3-11H,12H2,1-2H3,(H2,22,25)(H,26,27,30);3-11,13H,12H2,1-2H3,(H,25,26,29);3-12H,13H2,1-2H3,(H,25,26,29)
InChIKeyGQAWWHSKRAGWNL-UHFFFAOYSA-N
XLogP29.40
TPSA831.11 Ų
H-Bond Donors9
H-Bond Acceptors58
Rotatable Bonds40
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003470.55
LogP ≤ 529.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

3-[(3R)-3-[[5-fluoro-6-[4-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 118140606
2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
CID 121280403
2-[3,5-dimethyl-4-[2-(trifluoromethyl)pyridin-4-yl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-ylpyridin-2-yl)acetamide
CID 121280467
N-(5-pyrazin-2-ylpyridin-2-yl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide
CID 121280472
2-[3,5-dimethyl-4-[2-(trifluoromethyl)pyridin-4-yl]pyrazol-1-yl]-N-(5-pyrimidin-2-ylpyridin-2-yl)acetamide
CID 121280483
1-[3-[3-Amino-6-[4-[[5-[3-amino-6-[4-[[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 123148779
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
1-[5-[3-Amino-6-[4-[[2-[3-amino-6-[4-[[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 123963859
N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
CID 126499854
3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 145034066
3-[4-[(1E)-1-(4,4-difluoropiperidin-1-yl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 145034971
N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145037358

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide (CID 158331342) is 2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide is Cc1cc(-c2c(C)nn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2C)nc(C(F)(F)F)n1.Cc1cc(-c2cn(CC(=O)Nc3ccc(-c4cnccn4)cn3)nc2C)ccn1.Cc1cc(-c2cn(CC(=O)Nc3ccc(-c4cncnc4)cn3)nc2C)ccn1.Cc1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C(F)(F)F)c2)c1C.Cc1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C(F)(F)F)c2)c1C.Cc1nn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c(C)c1-c1ccnc(N)c1.Cc1nn(CC(=O)Nc2ncc(-c3cnccn3)cc2F)c(C)c1-c1ccnc(C(F)(F)F)c1.[C-]#[N+]c1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C)c2)c1C.
What is the InChIKey of 2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The InChIKey is GQAWWHSKRAGWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20F3N7O.C23H20N8O.C22H17F4N7O.C22H19F3N8O.C21H20N8O.2C21H19N7O/c2*1-13-8-17(18-11-27-6-7-28-18)10-30-22(13)31-20(34)12-33-15(3)21(14(2)32-33)16-4-5-29-19(9-16)23(24,25)26;1-14-9-17(5-6-26-14)22-15(2)30-31(16(22)3)13-21(32)29-23-19(24-4)10-18(11-28-23)20-12-25-7-8-27-20;1-12-20(14-3-4-29-18(8-14)22(24,25)26)13(2)33(32-12)11-19(34)31-21-16(23)7-15(9-30-21)17-10-27-5-6-28-17;1-12-8-16(30-21(29-12)22(23,24)25)20-13(2)32-33(14(20)3)11-19(34)31-18-5-4-15(9-28-18)17-10-26-6-7-27-17;1-13-21(15-5-6-25-18(22)9-15)14(2)29(28-13)12-20(30)27-19-4-3-16(10-26-19)17-11-23-7-8-24-17;1-14-7-16(5-6-24-14)19-11-28(27-15(19)2)12-21(29)26-20-4-3-17(10-25-20)18-8-22-13-23-9-18;1-14-9-16(5-6-23-14)18-12-28(27-15(18)2)13-21(29)26-20-4-3-17(10-25-20)19-11-22-7-8-24-19/h2*4-11H,12H2,1-3H3,(H,30,31,34);5-12H,13H2,1-3H3,(H,28,29,32);3-10H,11H2,1-2H3,(H,30,31,34);4-10H,11H2,1-3H3,(H,28,31,34);3-11H,12H2,1-2H3,(H2,22,25)(H,26,27,30);3-11,13H,12H2,1-2H3,(H,25,26,29);3-12H,13H2,1-2H3,(H,25,26,29).
What are the key properties of 2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide has a molecular weight of 3470.55 g/mol, XLogP of 29.40, 40 rotatable bonds, 9 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 158331342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).