6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C27H22FN5O3 — CID 44824825

About 6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824825) has the molecular formula C27H22FN5O3 and a molecular weight of 483.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 44824825
• Molecular Formula: C27H22FN5O3
• Molecular Weight: 483.50 g/mol
• Exact Mass: 483.17
• IUPAC Name: 6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4cnn(Cc5ccccc5F)c4)c23)cc1
• InChI: InChI=1S/C27H22FN5O3/c1-35-20-10-8-17(9-11-20)25-24-21(12-23(16-6-7-16)31-27(24)36-32-25)26(34)30-19-13-29-33(15-19)14-18-4-2-3-5-22(18)28/h2-5,8-13,15-16H,6-7,14H2,1H3,(H,30,34)
• InChIKey: FAJJCYBQWVATTL-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.50
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824825) is 6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4cnn(Cc5ccccc5F)c4)c23)cc1.

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

The InChIKey is FAJJCYBQWVATTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O3/c1-35-20-10-8-17(9-11-20)25-24-21(12-23(16-6-7-16)31-27(24)36-32-25)26(34)30-19-13-29-33(15-19)14-18-4-2-3-5-22(18)28/h2-5,8-13,15-16H,6-7,14H2,1H3,(H,30,34).

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

6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).