oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate

C30H32FN7O3S — CID 146267619

About oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate

oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate (PubChem CID 146267619) has the molecular formula C30H32FN7O3S and a molecular weight of 589.70 g/mol. Its IUPAC name is oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate
• PubChem CID: 146267619
• Molecular Formula: C30H32FN7O3S
• Molecular Weight: 589.70 g/mol
• Exact Mass: 589.23
• IUPAC Name: oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate
• SMILES: CCc1nn2c(C)cc(N3CCN(C(=O)OC4CCOC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C30H32FN7O3S/c1-4-24-28(35(3)29-33-27(26(17-32)42-29)20-5-7-21(31)8-6-20)25-16-22(15-19(2)38(25)34-24)36-10-12-37(13-11-36)30(39)41-23-9-14-40-18-23/h5-8,15-16,23H,4,9-14,18H2,1-3H3
• InChIKey: NSJZHBOZJRDOMN-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 99.23 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.70
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate?

The IUPAC name of oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate (CID 146267619) is oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate.

What is the SMILES notation for oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate?

The canonical SMILES for oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate is CCc1nn2c(C)cc(N3CCN(C(=O)OC4CCOC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate?

The InChIKey is NSJZHBOZJRDOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O3S/c1-4-24-28(35(3)29-33-27(26(17-32)42-29)20-5-7-21(31)8-6-20)25-16-22(15-19(2)38(25)34-24)36-10-12-37(13-11-36)30(39)41-23-9-14-40-18-23/h5-8,15-16,23H,4,9-14,18H2,1-3H3.

What are the key properties of oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate?

oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate has a molecular weight of 589.70 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for oxolan-3-yl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 146267619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).