2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

C31H34F2N8O2S — CID 159259215

About 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 159259215) has the molecular formula C31H34F2N8O2S and a molecular weight of 620.73 g/mol. Its IUPAC name is 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 159259215
• Molecular Formula: C31H34F2N8O2S
• Molecular Weight: 620.73 g/mol
• Exact Mass: 620.25
• IUPAC Name: 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
• SMILES: Cc1ccc(-c2nc(N(C)c3c(CC(F)F)nn4c(C)cc(N5CCN(CC(=O)N6CC(O)C6)CC5)cc34)sc2C#N)cc1
• InChI: InChI=1S/C31H34F2N8O2S/c1-19-4-6-21(7-5-19)29-26(15-34)44-31(35-29)37(3)30-24(14-27(32)33)36-41-20(2)12-22(13-25(30)41)39-10-8-38(9-11-39)18-28(43)40-16-23(42)17-40/h4-7,12-13,23,27,42H,8-11,14,16-18H2,1-3H3
• InChIKey: JYYPWMJBEWWBEQ-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 104.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.73
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (CID 159259215) is 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is Cc1ccc(-c2nc(N(C)c3c(CC(F)F)nn4c(C)cc(N5CCN(CC(=O)N6CC(O)C6)CC5)cc34)sc2C#N)cc1.

What is the InChIKey of 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is JYYPWMJBEWWBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N8O2S/c1-19-4-6-21(7-5-19)29-26(15-34)44-31(35-29)37(3)30-24(14-27(32)33)36-41-20(2)12-22(13-25(30)41)39-10-8-38(9-11-39)18-28(43)40-16-23(42)17-40/h4-7,12-13,23,27,42H,8-11,14,16-18H2,1-3H3.

What are the key properties of 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 620.73 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2,2-difluoroethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 159259215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).