3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H23ClN4O3 — CID 134802466

About 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802466) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 134802466
• Molecular Formula: C23H23ClN4O3
• Molecular Weight: 438.92 g/mol
• Exact Mass: 438.15
• IUPAC Name: 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)Cc4cccc(Cl)c4)C3)c12
• InChI: InChI=1S/C23H23ClN4O3/c1-25-22(30)17-11-18(14-5-6-14)26-23-20(17)21(27-31-23)15-7-8-28(12-15)19(29)10-13-3-2-4-16(24)9-13/h2-4,9,11,14-15H,5-8,10,12H2,1H3,(H,25,30)
• InChIKey: LCDSPJRYKHWWRE-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.92
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134802466) is 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)Cc4cccc(Cl)c4)C3)c12.

What is the InChIKey of 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is LCDSPJRYKHWWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-25-22(30)17-11-18(14-5-6-14)26-23-20(17)21(27-31-23)15-7-8-28(12-15)19(29)10-13-3-2-4-16(24)9-13/h2-4,9,11,14-15H,5-8,10,12H2,1H3,(H,25,30).

What are the key properties of 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).