3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one

C22H23F3N4O2 — CID 46339101

IUPAC3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(=O)n(CC(=O)N4CCCCC4)c32)cc1
InChIInChI=1S/C22H23F3N4O2/c1-14-6-8-16(9-7-14)29-21-20(15(2)26-29)17(22(23,24)25)12-18(30)28(21)13-19(31)27-10-4-3-5-11-27/h6-9,12H,3-5,10-11,13H2,1-2H3
InChIKeyRVBHTPFYRVYUPG-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.84
Rot. Bonds3

About 3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one

3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one (PubChem CID 46339101) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
PubChem CID46339101
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(=O)n(CC(=O)N4CCCCC4)c32)cc1
InChIInChI=1S/C22H23F3N4O2/c1-14-6-8-16(9-7-14)29-21-20(15(2)26-29)17(22(23,24)25)12-18(30)28(21)13-19(31)27-10-4-3-5-11-27/h6-9,12H,3-5,10-11,13H2,1-2H3
InChIKeyRVBHTPFYRVYUPG-UHFFFAOYSA-N
XLogP3.84
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one (CID 46339101) is 3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(=O)n(CC(=O)N4CCCCC4)c32)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is RVBHTPFYRVYUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-14-6-8-16(9-7-14)29-21-20(15(2)26-29)17(22(23,24)25)12-18(30)28(21)13-19(31)27-10-4-3-5-11-27/h6-9,12H,3-5,10-11,13H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one?
3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 432.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 46339101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).