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

C21H23F3N4O2 — CID 20951824

IUPAC3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(=O)n(CCN4CCOCC4)c32)cc1
InChIInChI=1S/C21H23F3N4O2/c1-14-3-5-16(6-4-14)28-20-19(15(2)25-28)17(21(22,23)24)13-18(29)27(20)8-7-26-9-11-30-12-10-26/h3-6,13H,7-12H2,1-2H3
InChIKeyOXDWWPLDCFLVMG-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.16
Rot. Bonds4

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

3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one (PubChem CID 20951824) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
PubChem CID20951824
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(=O)n(CCN4CCOCC4)c32)cc1
InChIInChI=1S/C21H23F3N4O2/c1-14-3-5-16(6-4-14)28-20-19(15(2)25-28)17(21(22,23)24)13-18(29)27(20)8-7-26-9-11-30-12-10-26/h3-6,13H,7-12H2,1-2H3
InChIKeyOXDWWPLDCFLVMG-UHFFFAOYSA-N
XLogP3.16
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9147164
3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
CID 46339101
2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46396097
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone
CID 50791377
ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 144816585
4-ethyl-7-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 22575842
1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86933154
1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
CID 177027614
3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9146991
1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine
CID 56816150
7,8-dimethyl-1-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 42653274
6-[2-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one;dihydrochloride
CID 153408764

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one (CID 20951824) is 3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(=O)n(CCN4CCOCC4)c32)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OXDWWPLDCFLVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-14-3-5-16(6-4-14)28-20-19(15(2)25-28)17(21(22,23)24)13-18(29)27(20)8-7-26-9-11-30-12-10-26/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one?
3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 420.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-7-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20951824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).