2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine

C91H87BrF5N29O9 — CID 161266590

About 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine

2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine (PubChem CID 161266590) has the molecular formula C91H87BrF5N29O9 and a molecular weight of 1905.78 g/mol. Its IUPAC name is 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine.

Molecular Properties

• Compound Name: 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine
• PubChem CID: 161266590
• Molecular Formula: C91H87BrF5N29O9
• Molecular Weight: 1905.78 g/mol
• Exact Mass: 1903.63
• IUPAC Name: 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine
• SMILES: CC(C)(C)OC(=O)Cc1cc2nc(-c3ccc(F)cc3)nn2cc1F.C[C@H]1CCCN1c1nc2cc(N)ccn2n1.Cc1ccnc(-c2cnn(C)c2C(=O)CO)c1.Cc1ccnc(-c2cnn(C)c2C(=O)O)c1.Cc1ncc(C)c(-c2cnn(C)c2C(=O)Cc2cc3nc(Br)nn3cc2F)n1.Cn1ncc(-c2cccnn2)c1C(=O)O.Nc1cc2nc(-c3ccc(F)cc3)nn2cc1F
• InChI: InChI=1S/C18H15BrFN7O.C18H17F2N3O2.C12H8F2N4.C12H13N3O2.C11H15N5.C11H11N3O2.C9H8N4O2/c1-9-6-21-10(2)23-16(9)12-7-22-26(3)17(12)14(28)4-11-5-15-24-18(19)25-27(15)8-13(11)20;1-18(2,3)25-16(24)9-12-8-15-21-17(22-23(15)10-14(12)20)11-4-6-13(19)7-5-11;13-8-3-1-7(2-4-8)12-16-11-5-10(15)9(14)6-18(11)17-12;1-8-3-4-13-10(5-8)9-6-14-15(2)12(9)11(17)7-16;1-8-3-2-5-15(8)11-13-10-7-9(12)4-6-16(10)14-11;1-7-3-4-12-9(5-7)8-6-13-14(2)10(8)11(15)16;1-13-8(9(14)15)6(5-11-13)7-3-2-4-10-12-7/h5-8H,4H2,1-3H3;4-8,10H,9H2,1-3H3;1-6H,15H2;3-6,16H,7H2,1-2H3;4,6-8H,2-3,5,12H2,1H3;3-6H,1-2H3,(H,15,16);2-5H,1H3,(H,14,15)/t;;;;8-;;/m....0../s1
• InChIKey: VDGNXAUTSFGKJR-OWXSASBMSA-N
• XLogP: 13.01
• TPSA: 479.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1905.78
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?

The IUPAC name of 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine (CID 161266590) is 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine.

What is the SMILES notation for 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?

The canonical SMILES for 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine is CC(C)(C)OC(=O)Cc1cc2nc(-c3ccc(F)cc3)nn2cc1F.C[C@H]1CCCN1c1nc2cc(N)ccn2n1.Cc1ccnc(-c2cnn(C)c2C(=O)CO)c1.Cc1ccnc(-c2cnn(C)c2C(=O)O)c1.Cc1ncc(C)c(-c2cnn(C)c2C(=O)Cc2cc3nc(Br)nn3cc2F)n1.Cn1ncc(-c2cccnn2)c1C(=O)O.Nc1cc2nc(-c3ccc(F)cc3)nn2cc1F.

What is the InChIKey of 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?

The InChIKey is VDGNXAUTSFGKJR-OWXSASBMSA-N. The full InChI is InChI=1S/C18H15BrFN7O.C18H17F2N3O2.C12H8F2N4.C12H13N3O2.C11H15N5.C11H11N3O2.C9H8N4O2/c1-9-6-21-10(2)23-16(9)12-7-22-26(3)17(12)14(28)4-11-5-15-24-18(19)25-27(15)8-13(11)20;1-18(2,3)25-16(24)9-12-8-15-21-17(22-23(15)10-14(12)20)11-4-6-13(19)7-5-11;13-8-3-1-7(2-4-8)12-16-11-5-10(15)9(14)6-18(11)17-12;1-8-3-4-13-10(5-8)9-6-14-15(2)12(9)11(17)7-16;1-8-3-2-5-15(8)11-13-10-7-9(12)4-6-16(10)14-11;1-7-3-4-12-9(5-7)8-6-13-14(2)10(8)11(15)16;1-13-8(9(14)15)6(5-11-13)7-3-2-4-10-12-7/h5-8H,4H2,1-3H3;4-8,10H,9H2,1-3H3;1-6H,15H2;3-6,16H,7H2,1-2H3;4,6-8H,2-3,5,12H2,1H3;3-6H,1-2H3,(H,15,16);2-5H,1H3,(H,14,15)/t;;;;8-;;/m....0../s1.

What are the key properties of 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?

2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine has a molecular weight of 1905.78 g/mol, XLogP of 13.01, 16 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-[6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-pyridazin-3-ylpyrazole-5-carboxylic acid;2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 161266590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).