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

C22H17ClF4N4O3 — CID 52917324

IUPAC4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-fluoro-4-hydroxyphenyl)piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(O)c(F)c2)C(=O)C1
InChIInChI=1S/C22H17ClF4N4O3/c23-19-15-7-12(11-1-2-11)8-17(22(25,26)27)31(15)28-20(19)21(34)29-5-6-30(18(33)10-29)13-3-4-16(32)14(24)9-13/h3-4,7-9,11,32H,1-2,5-6,10H2
InChIKeyFVOFZVUHOBZNDP-UHFFFAOYSA-N
MW496.85 g/mol
LogP4.22
Rot. Bonds3

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

4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-fluoro-4-hydroxyphenyl)piperazin-2-one (PubChem CID 52917324) has the molecular formula C22H17ClF4N4O3 and a molecular weight of 496.85 g/mol. Its IUPAC name is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-fluoro-4-hydroxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-fluoro-4-hydroxyphenyl)piperazin-2-one
PubChem CID52917324
Molecular FormulaC22H17ClF4N4O3
Molecular Weight496.85 g/mol
Exact Mass496.09
IUPAC Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-fluoro-4-hydroxyphenyl)piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(O)c(F)c2)C(=O)C1
InChIInChI=1S/C22H17ClF4N4O3/c23-19-15-7-12(11-1-2-11)8-17(22(25,26)27)31(15)28-20(19)21(34)29-5-6-30(18(33)10-29)13-3-4-16(32)14(24)9-13/h3-4,7-9,11,32H,1-2,5-6,10H2
InChIKeyFVOFZVUHOBZNDP-UHFFFAOYSA-N
XLogP4.22
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 52917469
CID 52917469
CID 52916937
CID 52916937
CID 52916938
CID 52916938
CID 52917018
CID 52917018
CID 52917248
CID 52917248
CID 52917250
CID 52917250
CID 52917251
CID 52917251
CID 52917252
CID 52917252
CID 52917322
CID 52917322
CID 52917323
CID 52917323
CID 52917325
CID 52917325
CID 52917326
CID 52917326

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-fluoro-4-hydroxyphenyl)piperazin-2-one?
The IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-fluoro-4-hydroxyphenyl)piperazin-2-one (CID 52917324) is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-fluoro-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-(3-fluoro-4-hydroxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-fluoro-4-hydroxyphenyl)piperazin-2-one is O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(O)c(F)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-fluoro-4-hydroxyphenyl)piperazin-2-one?
The InChIKey is FVOFZVUHOBZNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF4N4O3/c23-19-15-7-12(11-1-2-11)8-17(22(25,26)27)31(15)28-20(19)21(34)29-5-6-30(18(33)10-29)13-3-4-16(32)14(24)9-13/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-(3-fluoro-4-hydroxyphenyl)piperazin-2-one?
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(3-fluoro-4-hydroxyphenyl)piperazin-2-one has a molecular weight of 496.85 g/mol, XLogP of 4.22, 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-fluoro-4-hydroxyphenyl)piperazin-2-one is sourced from PubChem (CID 52917324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).