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

C22H18ClF3N4O3 — CID 52917322

IUPAC4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(O)cc2)C(=O)C1
InChIInChI=1S/C22H18ClF3N4O3/c23-19-16-9-13(12-1-2-12)10-17(22(24,25)26)30(16)27-20(19)21(33)28-7-8-29(18(32)11-28)14-3-5-15(31)6-4-14/h3-6,9-10,12,31H,1-2,7-8,11H2
InChIKeyDLOSEMZTCMNCPX-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-(4-hydroxyphenyl)piperazin-2-one

4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)piperazin-2-one (PubChem CID 52917322) 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-(4-hydroxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)piperazin-2-one
PubChem CID52917322
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-(4-hydroxyphenyl)piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(O)cc2)C(=O)C1
InChIInChI=1S/C22H18ClF3N4O3/c23-19-16-9-13(12-1-2-12)10-17(22(24,25)26)30(16)27-20(19)21(33)28-7-8-29(18(32)11-28)14-3-5-15(31)6-4-14/h3-6,9-10,12,31H,1-2,7-8,11H2
InChIKeyDLOSEMZTCMNCPX-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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Related Compounds

CID 52917469
CID 52917469
CID 76310921
CID 76310921
CID 52916937
CID 52916937
CID 52916938
CID 52916938
CID 52917014
CID 52917014
CID 52917018
CID 52917018
CID 52917248
CID 52917248
CID 52917250
CID 52917250
CID 52917251
CID 52917251
CID 52917252
CID 52917252
CID 52917323
CID 52917323
CID 52917324
CID 52917324

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)piperazin-2-one?
The IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)piperazin-2-one (CID 52917322) is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(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-(4-hydroxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)piperazin-2-one is O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(O)cc2)C(=O)C1.
What is the InChIKey of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)piperazin-2-one?
The InChIKey is DLOSEMZTCMNCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O3/c23-19-16-9-13(12-1-2-12)10-17(22(24,25)26)30(16)27-20(19)21(33)28-7-8-29(18(32)11-28)14-3-5-15(31)6-4-14/h3-6,9-10,12,31H,1-2,7-8,11H2.
What are the key properties of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)piperazin-2-one?
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-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-(4-hydroxyphenyl)piperazin-2-one is sourced from PubChem (CID 52917322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).