1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone

C116H91ClF5N35O8 — CID 159114147

About 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone

1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone (PubChem CID 159114147) has the molecular formula C116H91ClF5N35O8 and a molecular weight of 2233.68 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone
• PubChem CID: 159114147
• Molecular Formula: C116H91ClF5N35O8
• Molecular Weight: 2233.68 g/mol
• Exact Mass: 2231.74
• IUPAC Name: 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone
• SMILES: COc1cc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)nc(OC)n1.COc1cncc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1cc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)ncn1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1
• InChI: InChI=1S/C24H20FN7O3.C23H17ClFN7O.C23H18FN7O2.2C23H18FN7O/c1-31-22(16(12-26-31)18-11-21(34-2)29-24(27-18)35-3)19(33)9-15-10-20-28-23(14-7-5-4-6-8-14)30-32(20)13-17(15)25;1-13-26-11-17(24)21(28-13)16-10-27-31(2)22(16)19(33)8-15-9-20-29-23(14-6-4-3-5-7-14)30-32(20)12-18(15)25;1-30-22(16(10-26-30)18-11-25-12-21(27-18)33-2)19(32)8-15-9-20-28-23(14-6-4-3-5-7-14)29-31(20)13-17(15)24;1-14-8-19(26-13-25-14)17-11-27-30(2)22(17)20(32)9-16-10-21-28-23(15-6-4-3-5-7-15)29-31(21)12-18(16)24;1-14-8-9-25-23(27-14)17-12-26-30(2)21(17)19(32)10-16-11-20-28-22(15-6-4-3-5-7-15)29-31(20)13-18(16)24/h4-8,10-13H,9H2,1-3H3;3-7,9-12H,8H2,1-2H3;3-7,9-13H,8H2,1-2H3;3-8,10-13H,9H2,1-2H3;3-9,11-13H,10H2,1-2H3
• InChIKey: KEWGFHQLEYIREV-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 481.99 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2233.68
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone?

The IUPAC name of 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone (CID 159114147) is 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone.

What is the SMILES notation for 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone?

The canonical SMILES for 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone is COc1cc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)nc(OC)n1.COc1cncc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1cc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)ncn1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.

What is the InChIKey of 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone?

The InChIKey is KEWGFHQLEYIREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O3.C23H17ClFN7O.C23H18FN7O2.2C23H18FN7O/c1-31-22(16(12-26-31)18-11-21(34-2)29-24(27-18)35-3)19(33)9-15-10-20-28-23(14-7-5-4-6-8-14)30-32(20)13-17(15)25;1-13-26-11-17(24)21(28-13)16-10-27-31(2)22(16)19(33)8-15-9-20-29-23(14-6-4-3-5-7-14)30-32(20)12-18(15)25;1-30-22(16(10-26-30)18-11-25-12-21(27-18)33-2)19(32)8-15-9-20-28-23(14-6-4-3-5-7-14)29-31(20)13-17(15)24;1-14-8-19(26-13-25-14)17-11-27-30(2)22(17)20(32)9-16-10-21-28-23(15-6-4-3-5-7-15)29-31(21)12-18(16)24;1-14-8-9-25-23(27-14)17-12-26-30(2)21(17)19(32)10-16-11-20-28-22(15-6-4-3-5-7-15)29-31(20)13-18(16)24/h4-8,10-13H,9H2,1-3H3;3-7,9-12H,8H2,1-2H3;3-7,9-13H,8H2,1-2H3;3-8,10-13H,9H2,1-2H3;3-9,11-13H,10H2,1-2H3.

What are the key properties of 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone?

1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone has a molecular weight of 2233.68 g/mol, XLogP of 17.36, 28 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone is sourced from PubChem (CID 159114147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).