4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one

C22H16ClF5N4O3 — CID 52917252

About 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one

4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one (PubChem CID 52917252) has the molecular formula C22H16ClF5N4O3 and a molecular weight of 514.84 g/mol. Its IUPAC name is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one.

Molecular Properties

• Compound Name: 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one
• PubChem CID: 52917252
• Molecular Formula: C22H16ClF5N4O3
• Molecular Weight: 514.84 g/mol
• Exact Mass: 514.08
• IUPAC Name: 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one
• SMILES: O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2cc(F)c(O)cc2F)C(=O)C1
• InChI: InChI=1S/C22H16ClF5N4O3/c23-19-15-5-11(10-1-2-10)6-17(22(26,27)28)32(15)29-20(19)21(35)30-3-4-31(18(34)9-30)14-7-13(25)16(33)8-12(14)24/h5-8,10,33H,1-4,9H2
• InChIKey: LBDFMBIHBCRZLG-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.84
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one?

The IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one (CID 52917252) is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one.

What is the SMILES notation for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one?

The canonical SMILES for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one is O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2cc(F)c(O)cc2F)C(=O)C1.

What is the InChIKey of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one?

The InChIKey is LBDFMBIHBCRZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF5N4O3/c23-19-15-5-11(10-1-2-10)6-17(22(26,27)28)32(15)29-20(19)21(35)30-3-4-31(18(34)9-30)14-7-13(25)16(33)8-12(14)24/h5-8,10,33H,1-4,9H2.

What are the key properties of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one?

4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one has a molecular weight of 514.84 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,5-difluoro-4-hydroxyphenyl)piperazin-2-one is sourced from PubChem (CID 52917252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).