5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole

C23H17FN6O — CID 23548206

About 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole

5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole (PubChem CID 23548206) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole
• PubChem CID: 23548206
• Molecular Formula: C23H17FN6O
• Molecular Weight: 412.43 g/mol
• Exact Mass: 412.14
• IUPAC Name: 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole
• SMILES: Fc1ccccc1Cn1nc(-c2ncc(-c3cnoc3C3CC3)cn2)c2cccnc21
• InChI: InChI=1S/C23H17FN6O/c24-19-6-2-1-4-15(19)13-30-23-17(5-3-9-25-23)20(29-30)22-26-10-16(11-27-22)18-12-28-31-21(18)14-7-8-14/h1-6,9-12,14H,7-8,13H2
• InChIKey: WVIXAGCSHMQHLH-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 82.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.43
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole?

The IUPAC name of 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole (CID 23548206) is 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole.

What is the SMILES notation for 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole?

The canonical SMILES for 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole is Fc1ccccc1Cn1nc(-c2ncc(-c3cnoc3C3CC3)cn2)c2cccnc21.

What is the InChIKey of 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole?

The InChIKey is WVIXAGCSHMQHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O/c24-19-6-2-1-4-15(19)13-30-23-17(5-3-9-25-23)20(29-30)22-26-10-16(11-27-22)18-12-28-31-21(18)14-7-8-14/h1-6,9-12,14H,7-8,13H2.

What are the key properties of 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole?

5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole has a molecular weight of 412.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole is sourced from PubChem (CID 23548206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).