4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C20H25N5O2S — CID 123973354

About 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123973354) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
• PubChem CID: 123973354
• Molecular Formula: C20H25N5O2S
• Molecular Weight: 399.52 g/mol
• Exact Mass: 399.17
• IUPAC Name: 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
• SMILES: CC(Oc1nc(-c2csc(C(C)(C)C)n2)cc2ncn(C)c12)C1CNC(=O)C1
• InChI: InChI=1S/C20H25N5O2S/c1-11(12-6-16(26)21-8-12)27-18-17-14(22-10-25(17)5)7-13(23-18)15-9-28-19(24-15)20(2,3)4/h7,9-12H,6,8H2,1-5H3,(H,21,26)
• InChIKey: ZESBLYWUBTUEGN-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.52
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The IUPAC name of 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 123973354) is 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

What is the SMILES notation for 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The canonical SMILES for 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is CC(Oc1nc(-c2csc(C(C)(C)C)n2)cc2ncn(C)c12)C1CNC(=O)C1.

What is the InChIKey of 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The InChIKey is ZESBLYWUBTUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-11(12-6-16(26)21-8-12)27-18-17-14(22-10-25(17)5)7-13(23-18)15-9-28-19(24-15)20(2,3)4/h7,9-12H,6,8H2,1-5H3,(H,21,26).

What are the key properties of 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 399.52 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[6-(2-tert-butyl-1,3-thiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123973354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).