2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide

C28H31FN8OS — CID 146267592

About 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 146267592) has the molecular formula C28H31FN8OS and a molecular weight of 546.68 g/mol. Its IUPAC name is 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide
• PubChem CID: 146267592
• Molecular Formula: C28H31FN8OS
• Molecular Weight: 546.68 g/mol
• Exact Mass: 546.23
• IUPAC Name: 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide
• SMILES: CCc1nn2ccc(N3CCN(CC(=O)N(C)C)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C28H31FN8OS/c1-5-22-27(34(4)28-31-26(24(17-30)39-28)19-6-8-20(29)9-7-19)23-16-21(10-11-37(23)32-22)36-14-12-35(13-15-36)18-25(38)33(2)3/h6-11,16H,5,12-15,18H2,1-4H3
• InChIKey: UWVKXQMCRBJRGV-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 84.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.68
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide (CID 146267592) is 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide is CCc1nn2ccc(N3CCN(CC(=O)N(C)C)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide?

The InChIKey is UWVKXQMCRBJRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN8OS/c1-5-22-27(34(4)28-31-26(24(17-30)39-28)19-6-8-20(29)9-7-19)23-16-21(10-11-37(23)32-22)36-14-12-35(13-15-36)18-25(38)33(2)3/h6-11,16H,5,12-15,18H2,1-4H3.

What are the key properties of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide?

2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 546.68 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 146267592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).