(2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide

C24H26N6OS — CID 135319607

About (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide

(2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 135319607) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 135319607
• Molecular Formula: C24H26N6OS
• Molecular Weight: 446.58 g/mol
• Exact Mass: 446.19
• IUPAC Name: (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
• SMILES: CCc1c(-c2nccn2C)cnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3)sc12
• InChI: InChI=1S/C24H26N6OS/c1-3-17-18(22-25-11-13-29(22)2)15-26-21-20(17)32-24(28-21)30-12-7-10-19(30)23(31)27-14-16-8-5-4-6-9-16/h4-6,8-9,11,13,15,19H,3,7,10,12,14H2,1-2H3,(H,27,31)/t19-/m1/s1
• InChIKey: GBGMLPPNETVXNY-LJQANCHMSA-N
• XLogP: 3.94
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.58
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (CID 135319607) is (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is CCc1c(-c2nccn2C)cnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3)sc12.

What is the InChIKey of (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is GBGMLPPNETVXNY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-3-17-18(22-25-11-13-29(22)2)15-26-21-20(17)32-24(28-21)30-12-7-10-19(30)23(31)27-14-16-8-5-4-6-9-16/h4-6,8-9,11,13,15,19H,3,7,10,12,14H2,1-2H3,(H,27,31)/t19-/m1/s1.

What are the key properties of (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?

(2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 135319607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).