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

C19H16BrF3N4OS — CID 135576692

IUPAC3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide
SMILESBr.Cc1nn(CCc2nc(-c3ccccc3)cs2)c2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C19H15F3N4OS.BrH/c1-11-17-13(19(20,21)22)9-15(27)24-18(17)26(25-11)8-7-16-23-14(10-28-16)12-5-3-2-4-6-12;/h2-6,9-10H,7-8H2,1H3,(H,24,27);1H
InChIKeyWJDAFOKTCUNCIC-UHFFFAOYSA-N
MW485.33 g/mol
LogP5.00
Rot. Bonds4

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

3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide (PubChem CID 135576692) has the molecular formula C19H16BrF3N4OS and a molecular weight of 485.33 g/mol. Its IUPAC name is 3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide.

Molecular Properties

Compound Name3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide
PubChem CID135576692
Molecular FormulaC19H16BrF3N4OS
Molecular Weight485.33 g/mol
Exact Mass484.02
IUPAC Name3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide
SMILESBr.Cc1nn(CCc2nc(-c3ccccc3)cs2)c2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C19H15F3N4OS.BrH/c1-11-17-13(19(20,21)22)9-15(27)24-18(17)26(25-11)8-7-16-23-14(10-28-16)12-5-3-2-4-6-12;/h2-6,9-10H,7-8H2,1H3,(H,24,27);1H
InChIKeyWJDAFOKTCUNCIC-UHFFFAOYSA-N
XLogP5.00
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-benzyl-3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497825
1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734238
1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164424
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 51597984
ethyl 2-[3-methyl-6-oxo-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 135562153
3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid
CID 2366722
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 102802826
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55841798
1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497817
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide?
The IUPAC name of 3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide (CID 135576692) is 3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide.
What is the SMILES notation for 3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide?
The canonical SMILES for 3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide is Br.Cc1nn(CCc2nc(-c3ccccc3)cs2)c2[nH]c(=O)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide?
The InChIKey is WJDAFOKTCUNCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4OS.BrH/c1-11-17-13(19(20,21)22)9-15(27)24-18(17)26(25-11)8-7-16-23-14(10-28-16)12-5-3-2-4-6-12;/h2-6,9-10H,7-8H2,1H3,(H,24,27);1H.
What are the key properties of 3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide?
3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide has a molecular weight of 485.33 g/mol, XLogP of 5.00, 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-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide is sourced from PubChem (CID 135576692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).