1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one

C140H119F7N42O7 — CID 157238556

IUPAC1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
SMILESCc1ccc(F)c(CC(=O)Cc2ccc(-c3cccc4nnc(N)n34)cn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(-c3cccc4nnc(N)n34)nc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(-c3cccn4nnc(N)c34)nn2)c1.Cc1ccc(F)c(CC(=O)Cc2cnc(-c3cccn4nnc(N)c34)cn2)c1.Cc1ccc(F)c(CC(=O)Cc2cnc(-c3cccn4nnc(N)c34)nc2)c1.Cc1ccc(F)c(CC(=O)Cc2cnc(-c3cccn4nnc(N)c34)nn2)c1.Cc1ccc(F)c(CC(=O)Cc2ncc(-c3cccn4nnc(N)c34)nn2)c1
InChIInChI=1S/2C21H18FN5O.3C20H17FN6O.2C19H16FN7O/c1-13-5-8-18(22)15(9-13)10-17(28)11-16-7-6-14(12-24-16)19-3-2-4-20-25-26-21(23)27(19)20;1-13-5-7-17(22)15(9-13)11-16(28)10-14-6-8-18(24-12-14)19-3-2-4-20-25-26-21(23)27(19)20;1-12-4-6-17(21)13(9-12)10-15(28)11-14-5-7-18(24-23-14)16-3-2-8-27-19(16)20(22)25-26-27;1-12-4-5-17(21)14(7-12)9-15(28)8-13-10-23-20(24-11-13)16-3-2-6-27-18(16)19(22)25-26-27;1-12-4-5-17(21)13(7-12)8-15(28)9-14-10-24-18(11-23-14)16-3-2-6-27-19(16)20(22)25-26-27;1-11-4-5-16(20)12(7-11)8-14(28)9-13-10-22-19(25-23-13)15-3-2-6-27-17(15)18(21)24-26-27;1-11-4-5-15(20)12(7-11)8-13(28)9-17-22-10-16(23-24-17)14-3-2-6-27-18(14)19(21)25-26-27/h2*2-9,12H,10-11H2,1H3,(H2,23,26);2-9H,10-11,22H2,1H3;2*2-7,10-11H,8-9,22H2,1H3;2*2-7,10H,8-9,21H2,1H3
InChIKeyAUXYKYRPTGVDCV-UHFFFAOYSA-N
MW2634.76 g/mol
LogP17.99
Rot. Bonds35

About 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one

1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one (PubChem CID 157238556) has the molecular formula C140H119F7N42O7 and a molecular weight of 2634.76 g/mol. Its IUPAC name is 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
PubChem CID157238556
Molecular FormulaC140H119F7N42O7
Molecular Weight2634.76 g/mol
Exact Mass2633.01
IUPAC Name1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
SMILESCc1ccc(F)c(CC(=O)Cc2ccc(-c3cccc4nnc(N)n34)cn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(-c3cccc4nnc(N)n34)nc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(-c3cccn4nnc(N)c34)nn2)c1.Cc1ccc(F)c(CC(=O)Cc2cnc(-c3cccn4nnc(N)c34)cn2)c1.Cc1ccc(F)c(CC(=O)Cc2cnc(-c3cccn4nnc(N)c34)nc2)c1.Cc1ccc(F)c(CC(=O)Cc2cnc(-c3cccn4nnc(N)c34)nn2)c1.Cc1ccc(F)c(CC(=O)Cc2ncc(-c3cccn4nnc(N)c34)nn2)c1
InChIInChI=1S/2C21H18FN5O.3C20H17FN6O.2C19H16FN7O/c1-13-5-8-18(22)15(9-13)10-17(28)11-16-7-6-14(12-24-16)19-3-2-4-20-25-26-21(23)27(19)20;1-13-5-7-17(22)15(9-13)11-16(28)10-14-6-8-18(24-12-14)19-3-2-4-20-25-26-21(23)27(19)20;1-12-4-6-17(21)13(9-12)10-15(28)11-14-5-7-18(24-23-14)16-3-2-8-27-19(16)20(22)25-26-27;1-12-4-5-17(21)14(7-12)9-15(28)8-13-10-23-20(24-11-13)16-3-2-6-27-18(16)19(22)25-26-27;1-12-4-5-17(21)13(7-12)8-15(28)9-14-10-24-18(11-23-14)16-3-2-6-27-19(16)20(22)25-26-27;1-11-4-5-16(20)12(7-11)8-14(28)9-13-10-22-19(25-23-13)15-3-2-6-27-17(15)18(21)24-26-27;1-11-4-5-15(20)12(7-11)8-13(28)9-17-22-10-16(23-24-17)14-3-2-6-27-18(14)19(21)25-26-27/h2*2-9,12H,10-11H2,1H3,(H2,23,26);2-9H,10-11,22H2,1H3;2*2-7,10-11H,8-9,22H2,1H3;2*2-7,10H,8-9,21H2,1H3
InChIKeyAUXYKYRPTGVDCV-UHFFFAOYSA-N
XLogP17.99
TPSA693.42 Ų
H-Bond Donors7
H-Bond Acceptors49
Rotatable Bonds35
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002634.76
LogP ≤ 517.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1049

Analyze 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one with MolForge

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Related Compounds

3-cyano-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]benzamide;3,3,3-trifluoro-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)-(3,3,3-trifluoropropanoyl)amino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]propanamide
CID 87152389
4-[3-[3-[(4-fluorophenyl)methyl]-1-methylpyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-[2-methyl-5-[1-[2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]triazol-4-yl]phenyl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 123831832
N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145252871
1,5-Bis[5-tert-butyl-7-(3,3-difluoropyrrolidin-1-yl)triazolo[4,5-d]pyrimidin-2-yl]-2,4-dipyridin-2-ylpentan-3-one
CID 151963549
(7S,8aS)-7-[3-[2-[8-[(Z)-3-[(7S,8aS)-2-(5-fluoropyrimidin-2-yl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]prop-1-enyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propyl]-2-(5-fluoro-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 156415551
N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157192480
Tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157220125
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
CID 157259556
1-ethyl-5-fluoro-N-(5-fluoro-3-pyridinyl)indole-3-carboxamide;1-(1-ethyl-5-fluoroindol-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone;1-(1-ethyl-5-fluoroindol-3-yl)-2-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone;1-ethyl-5-fluoro-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;5-fluoro-N-(5-fluoro-3-pyridinyl)-1-propan-2-ylindole-3-carboxamide;5-fluoro-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide
CID 157300408
Tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;bis(6-(1-cyclohexylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine)
CID 157303422
2-[3,5-Bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157319134
2-methyl-N-(4-methylphenyl)-5-[3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;bis(N-(4-methylphenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide);N-(4-methylphenyl)-5-(3-pyrimidin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 157377466

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one?
The IUPAC name of 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one (CID 157238556) is 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one.
What is the SMILES notation for 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one?
The canonical SMILES for 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one is Cc1ccc(F)c(CC(=O)Cc2ccc(-c3cccc4nnc(N)n34)cn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(-c3cccc4nnc(N)n34)nc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(-c3cccn4nnc(N)c34)nn2)c1.Cc1ccc(F)c(CC(=O)Cc2cnc(-c3cccn4nnc(N)c34)cn2)c1.Cc1ccc(F)c(CC(=O)Cc2cnc(-c3cccn4nnc(N)c34)nc2)c1.Cc1ccc(F)c(CC(=O)Cc2cnc(-c3cccn4nnc(N)c34)nn2)c1.Cc1ccc(F)c(CC(=O)Cc2ncc(-c3cccn4nnc(N)c34)nn2)c1.
What is the InChIKey of 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one?
The InChIKey is AUXYKYRPTGVDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18FN5O.3C20H17FN6O.2C19H16FN7O/c1-13-5-8-18(22)15(9-13)10-17(28)11-16-7-6-14(12-24-16)19-3-2-4-20-25-26-21(23)27(19)20;1-13-5-7-17(22)15(9-13)11-16(28)10-14-6-8-18(24-12-14)19-3-2-4-20-25-26-21(23)27(19)20;1-12-4-6-17(21)13(9-12)10-15(28)11-14-5-7-18(24-23-14)16-3-2-8-27-19(16)20(22)25-26-27;1-12-4-5-17(21)14(7-12)9-15(28)8-13-10-23-20(24-11-13)16-3-2-6-27-18(16)19(22)25-26-27;1-12-4-5-17(21)13(7-12)8-15(28)9-14-10-24-18(11-23-14)16-3-2-6-27-19(16)20(22)25-26-27;1-11-4-5-16(20)12(7-11)8-14(28)9-13-10-22-19(25-23-13)15-3-2-6-27-17(15)18(21)24-26-27;1-11-4-5-15(20)12(7-11)8-13(28)9-17-22-10-16(23-24-17)14-3-2-6-27-18(14)19(21)25-26-27/h2*2-9,12H,10-11H2,1H3,(H2,23,26);2-9H,10-11,22H2,1H3;2*2-7,10-11H,8-9,22H2,1H3;2*2-7,10H,8-9,21H2,1H3.
What are the key properties of 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one?
1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one has a molecular weight of 2634.76 g/mol, XLogP of 17.99, 35 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one is sourced from PubChem (CID 157238556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).