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

C22H17Cl2F3N4O3 — CID 52917755

IUPAC4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2-chloro-4-hydroxyphenyl)piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(O)cc2Cl)C(=O)C1
InChIInChI=1S/C22H17Cl2F3N4O3/c23-14-9-13(32)3-4-15(14)30-6-5-29(10-18(30)33)21(34)20-19(24)16-7-12(11-1-2-11)8-17(22(25,26)27)31(16)28-20/h3-4,7-9,11,32H,1-2,5-6,10H2
InChIKeyANBVBVKLJWEBHS-UHFFFAOYSA-N
MW513.30 g/mol
LogP4.73
Rot. Bonds3

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

4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2-chloro-4-hydroxyphenyl)piperazin-2-one (PubChem CID 52917755) has the molecular formula C22H17Cl2F3N4O3 and a molecular weight of 513.30 g/mol. Its IUPAC name is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2-chloro-4-hydroxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2-chloro-4-hydroxyphenyl)piperazin-2-one
PubChem CID52917755
Molecular FormulaC22H17Cl2F3N4O3
Molecular Weight513.30 g/mol
Exact Mass512.06
IUPAC Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2-chloro-4-hydroxyphenyl)piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(O)cc2Cl)C(=O)C1
InChIInChI=1S/C22H17Cl2F3N4O3/c23-14-9-13(32)3-4-15(14)30-6-5-29(10-18(30)33)21(34)20-19(24)16-7-12(11-1-2-11)8-17(22(25,26)27)31(16)28-20/h3-4,7-9,11,32H,1-2,5-6,10H2
InChIKeyANBVBVKLJWEBHS-UHFFFAOYSA-N
XLogP4.73
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-chloro-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-chloro-4-hydroxyphenyl)piperazin-2-one (CID 52917755) is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2-chloro-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-chloro-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-chloro-4-hydroxyphenyl)piperazin-2-one is O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(O)cc2Cl)C(=O)C1.
What is the InChIKey of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2-chloro-4-hydroxyphenyl)piperazin-2-one?
The InChIKey is ANBVBVKLJWEBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F3N4O3/c23-14-9-13(32)3-4-15(14)30-6-5-29(10-18(30)33)21(34)20-19(24)16-7-12(11-1-2-11)8-17(22(25,26)27)31(16)28-20/h3-4,7-9,11,32H,1-2,5-6,10H2.
What are the key properties of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2-chloro-4-hydroxyphenyl)piperazin-2-one?
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(2-chloro-4-hydroxyphenyl)piperazin-2-one has a molecular weight of 513.30 g/mol, XLogP of 4.73, 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-chloro-4-hydroxyphenyl)piperazin-2-one is sourced from PubChem (CID 52917755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).