3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H25N5O2S — CID 24685478

About 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24685478) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24685478
• Molecular Formula: C24H25N5O2S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.17
• IUPAC Name: 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nc(CN4CCCC(C)C4)cs3)c12
• InChI: InChI=1S/C24H25N5O2S/c1-15-7-6-10-29(12-15)13-18-14-32-24(25-18)27-22(30)19-11-20(17-8-4-3-5-9-17)26-23-21(19)16(2)28-31-23/h3-5,8-9,11,14-15H,6-7,10,12-13H2,1-2H3,(H,25,27,30)
• InChIKey: RCEJYUMOKSTNNI-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24685478) is 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nc(CN4CCCC(C)C4)cs3)c12.

What is the InChIKey of 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is RCEJYUMOKSTNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-15-7-6-10-29(12-15)13-18-14-32-24(25-18)27-22(30)19-11-20(17-8-4-3-5-9-17)26-23-21(19)16(2)28-31-23/h3-5,8-9,11,14-15H,6-7,10,12-13H2,1-2H3,(H,25,27,30).

What are the key properties of 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24685478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).