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

C22H16ClF5N4O3 — CID 52917326

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

4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,3-difluoro-4-hydroxyphenyl)piperazin-2-one (PubChem CID 52917326) 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-(2,3-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-(2,3-difluoro-4-hydroxyphenyl)piperazin-2-one
• PubChem CID: 52917326
• 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-(2,3-difluoro-4-hydroxyphenyl)piperazin-2-one
• SMILES: O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(O)c(F)c2F)C(=O)C1
• InChI: InChI=1S/C22H16ClF5N4O3/c23-17-13-7-11(10-1-2-10)8-15(22(26,27)28)32(13)29-20(17)21(35)30-5-6-31(16(34)9-30)12-3-4-14(33)19(25)18(12)24/h3-4,7-8,10,33H,1-2,5-6,9H2
• InChIKey: NMSDOIQTHUPYBR-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-(2,3-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-(2,3-difluoro-4-hydroxyphenyl)piperazin-2-one (CID 52917326) is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,3-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-(2,3-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-(2,3-difluoro-4-hydroxyphenyl)piperazin-2-one is O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(O)c(F)c2F)C(=O)C1.

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

The InChIKey is NMSDOIQTHUPYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF5N4O3/c23-17-13-7-11(10-1-2-10)8-15(22(26,27)28)32(13)29-20(17)21(35)30-5-6-31(16(34)9-30)12-3-4-14(33)19(25)18(12)24/h3-4,7-8,10,33H,1-2,5-6,9H2.

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

4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2,3-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-(2,3-difluoro-4-hydroxyphenyl)piperazin-2-one is sourced from PubChem (CID 52917326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).