3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one

C20H17F3N4OS — CID 135532946

IUPAC3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-c2csc(CCn3nc(C)c4c(C(F)(F)F)cc(=O)[nH]c43)n2)cc1
InChIInChI=1S/C20H17F3N4OS/c1-11-3-5-13(6-4-11)15-10-29-17(24-15)7-8-27-19-18(12(2)26-27)14(20(21,22)23)9-16(28)25-19/h3-6,9-10H,7-8H2,1-2H3,(H,25,28)
InChIKeyRUNXSSDQOPIDTM-UHFFFAOYSA-N
MW418.44 g/mol
LogP4.73
Rot. Bonds4

About 3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one

3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135532946) has the molecular formula C20H17F3N4OS and a molecular weight of 418.44 g/mol. Its IUPAC name is 3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135532946
Molecular FormulaC20H17F3N4OS
Molecular Weight418.44 g/mol
Exact Mass418.11
IUPAC Name3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-c2csc(CCn3nc(C)c4c(C(F)(F)F)cc(=O)[nH]c43)n2)cc1
InChIInChI=1S/C20H17F3N4OS/c1-11-3-5-13(6-4-11)15-10-29-17(24-15)7-8-27-19-18(12(2)26-27)14(20(21,22)23)9-16(28)25-19/h3-6,9-10H,7-8H2,1-2H3,(H,25,28)
InChIKeyRUNXSSDQOPIDTM-UHFFFAOYSA-N
XLogP4.73
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-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

(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2360937
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 118392840
N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide
CID 2100902
N-[4-(4-methyl-1,3-thiazol-2-yl)-2-phenylpyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 2123127
2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 4788851
N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 9806690
N-[3-(diethylamino)propyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 10050154
1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135416948
3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135526339
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155550023
1H-Pyrazole-1-acetamide, 5-methyl-N-(5-methyl-4-phenyl-2-thiazolyl)-3-(trifluoromethyl)-
CID 1222112
Acetamide, N-(3-(4-methylphenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 1498356

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135532946) is 3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-c2csc(CCn3nc(C)c4c(C(F)(F)F)cc(=O)[nH]c43)n2)cc1.
What is the InChIKey of 3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is RUNXSSDQOPIDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4OS/c1-11-3-5-13(6-4-11)15-10-29-17(24-15)7-8-27-19-18(12(2)26-27)14(20(21,22)23)9-16(28)25-19/h3-6,9-10H,7-8H2,1-2H3,(H,25,28).
What are the key properties of 3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 418.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135532946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).