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

C22H18ClF3N4O3 — CID 52917250

IUPAC4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-hydroxyphenyl)piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2cccc(O)c2)C(=O)C1
InChIInChI=1S/C22H18ClF3N4O3/c23-19-16-8-13(12-4-5-12)9-17(22(24,25)26)30(16)27-20(19)21(33)28-6-7-29(18(32)11-28)14-2-1-3-15(31)10-14/h1-3,8-10,12,31H,4-7,11H2
InChIKeyPLUHRJVVWAPBEV-UHFFFAOYSA-N
MW478.86 g/mol
LogP4.08
Rot. Bonds3

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

4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-hydroxyphenyl)piperazin-2-one (PubChem CID 52917250) has the molecular formula C22H18ClF3N4O3 and a molecular weight of 478.86 g/mol. Its IUPAC name is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-hydroxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-hydroxyphenyl)piperazin-2-one
PubChem CID52917250
Molecular FormulaC22H18ClF3N4O3
Molecular Weight478.86 g/mol
Exact Mass478.10
IUPAC Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-hydroxyphenyl)piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2cccc(O)c2)C(=O)C1
InChIInChI=1S/C22H18ClF3N4O3/c23-19-16-8-13(12-4-5-12)9-17(22(24,25)26)30(16)27-20(19)21(33)28-6-7-29(18(32)11-28)14-2-1-3-15(31)10-14/h1-3,8-10,12,31H,4-7,11H2
InChIKeyPLUHRJVVWAPBEV-UHFFFAOYSA-N
XLogP4.08
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.86
LogP ≤ 54.08
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-(3-hydroxyphenyl)piperazin-2-one?
The IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-hydroxyphenyl)piperazin-2-one (CID 52917250) is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-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-(3-hydroxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-hydroxyphenyl)piperazin-2-one is O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2cccc(O)c2)C(=O)C1.
What is the InChIKey of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-hydroxyphenyl)piperazin-2-one?
The InChIKey is PLUHRJVVWAPBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O3/c23-19-16-8-13(12-4-5-12)9-17(22(24,25)26)30(16)27-20(19)21(33)28-6-7-29(18(32)11-28)14-2-1-3-15(31)10-14/h1-3,8-10,12,31H,4-7,11H2.
What are the key properties of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-hydroxyphenyl)piperazin-2-one?
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-hydroxyphenyl)piperazin-2-one has a molecular weight of 478.86 g/mol, XLogP of 4.08, 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-(3-hydroxyphenyl)piperazin-2-one is sourced from PubChem (CID 52917250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).