3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole

C24H17F5N8O — CID 118233447

About 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole

3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole (PubChem CID 118233447) has the molecular formula C24H17F5N8O and a molecular weight of 528.45 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
• PubChem CID: 118233447
• Molecular Formula: C24H17F5N8O
• Molecular Weight: 528.45 g/mol
• Exact Mass: 528.14
• IUPAC Name: 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
• SMILES: Fc1ccccc1Cn1nc(-c2ncc(F)c(N3CCc4[nH]nc(C(F)(F)F)c4C3)n2)cc1-c1ccon1
• InChI: InChI=1S/C24H17F5N8O/c25-15-4-2-1-3-13(15)11-37-20(18-6-8-38-35-18)9-19(34-37)22-30-10-16(26)23(31-22)36-7-5-17-14(12-36)21(33-32-17)24(27,28)29/h1-4,6,8-10H,5,7,11-12H2,(H,32,33)
• InChIKey: QWQMPZXVCTVYST-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 101.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.45
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole?

The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole (CID 118233447) is 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole.

What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole?

The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole is Fc1ccccc1Cn1nc(-c2ncc(F)c(N3CCc4[nH]nc(C(F)(F)F)c4C3)n2)cc1-c1ccon1.

What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole?

The InChIKey is QWQMPZXVCTVYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N8O/c25-15-4-2-1-3-13(15)11-37-20(18-6-8-38-35-18)9-19(34-37)22-30-10-16(26)23(31-22)36-7-5-17-14(12-36)21(33-32-17)24(27,28)29/h1-4,6,8-10H,5,7,11-12H2,(H,32,33).

What are the key properties of 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole?

3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole has a molecular weight of 528.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 118233447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).