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

C22H24ClF3N4O3 — CID 52917469

IUPAC4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(C2CCC(O)CC2)C(=O)C1
InChIInChI=1S/C22H24ClF3N4O3/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/h9-10,12,14-15,31H,1-8,11H2
InChIKeyIAQFLGLFHNBJEH-UHFFFAOYSA-N
MW484.91 g/mol
LogP3.47
Rot. Bonds3

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

4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)piperazin-2-one (PubChem CID 52917469) has the molecular formula C22H24ClF3N4O3 and a molecular weight of 484.91 g/mol. Its IUPAC name is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)piperazin-2-one
PubChem CID52917469
Molecular FormulaC22H24ClF3N4O3
Molecular Weight484.91 g/mol
Exact Mass484.15
IUPAC Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(C2CCC(O)CC2)C(=O)C1
InChIInChI=1S/C22H24ClF3N4O3/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/h9-10,12,14-15,31H,1-8,11H2
InChIKeyIAQFLGLFHNBJEH-UHFFFAOYSA-N
XLogP3.47
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.91
LogP ≤ 53.47
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-(4-hydroxycyclohexyl)piperazin-2-one?
The IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)piperazin-2-one (CID 52917469) is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)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-hydroxycyclohexyl)piperazin-2-one?
The canonical SMILES for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)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-hydroxycyclohexyl)piperazin-2-one?
The InChIKey is IAQFLGLFHNBJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N4O3/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/h9-10,12,14-15,31H,1-8,11H2.
What are the key properties of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)piperazin-2-one?
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)piperazin-2-one has a molecular weight of 484.91 g/mol, XLogP of 3.47, 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-hydroxycyclohexyl)piperazin-2-one is sourced from PubChem (CID 52917469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).