N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide

C20H22N4O3S — CID 177028722

About N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 177028722) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
• PubChem CID: 177028722
• Molecular Formula: C20H22N4O3S
• Molecular Weight: 398.49 g/mol
• Exact Mass: 398.14
• IUPAC Name: N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
• SMILES: CC(=O)Nc1cc2c(-c3nc(C4CCOC4)c(C)s3)cn(C3COC3)c2cn1
• InChI: InChI=1S/C20H22N4O3S/c1-11-19(13-3-4-26-8-13)23-20(28-11)16-7-24(14-9-27-10-14)17-6-21-18(5-15(16)17)22-12(2)25/h5-7,13-14H,3-4,8-10H2,1-2H3,(H,21,22,25)
• InChIKey: NQHMEOPIWVUESQ-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 78.27 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	398.49
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?

The IUPAC name of N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 177028722) is N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide.

What is the SMILES notation for N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?

The canonical SMILES for N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide is CC(=O)Nc1cc2c(-c3nc(C4CCOC4)c(C)s3)cn(C3COC3)c2cn1.

What is the InChIKey of N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?

The InChIKey is NQHMEOPIWVUESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-11-19(13-3-4-26-8-13)23-20(28-11)16-7-24(14-9-27-10-14)17-6-21-18(5-15(16)17)22-12(2)25/h5-7,13-14H,3-4,8-10H2,1-2H3,(H,21,22,25).

What are the key properties of N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?

N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 398.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 177028722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).