3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide

C19H20FN3O2S — CID 169412450

IUPAC3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide
SMILESCc1cc(F)ccc1-c1cc(C)c2c(C)nn(C3CCS(=O)(=O)C3)c2n1
InChIInChI=1S/C19H20FN3O2S/c1-11-8-14(20)4-5-16(11)17-9-12(2)18-13(3)22-23(19(18)21-17)15-6-7-26(24,25)10-15/h4-5,8-9,15H,6-7,10H2,1-3H3
InChIKeyZFGMECAEUXOZFC-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.52
Rot. Bonds2

About 3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide

3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide (PubChem CID 169412450) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide
PubChem CID169412450
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide
SMILESCc1cc(F)ccc1-c1cc(C)c2c(C)nn(C3CCS(=O)(=O)C3)c2n1
InChIInChI=1S/C19H20FN3O2S/c1-11-8-14(20)4-5-16(11)17-9-12(2)18-13(3)22-23(19(18)21-17)15-6-7-26(24,25)10-15/h4-5,8-9,15H,6-7,10H2,1-3H3
InChIKeyZFGMECAEUXOZFC-UHFFFAOYSA-N
XLogP3.52
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide 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-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27509262
3-(2,4-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-5-amine
CID 93296243
1-[(3S)-1,1-dioxothiolan-3-yl]-6-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27461588
1-[1-[(3R)-1,1-dioxothiolan-3-yl]-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 27461481
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43034676
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27461912
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46402507
6-cyclopropyl-N-(3,5-difluorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25495078
1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-6-(4-methylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27509219
methyl 1-[(3S)-1,1-dioxothiolan-3-yl]-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 27378117
(3S)-3-(4-methoxy-3-methylpyrazolo[3,4-b]quinolin-1-yl)thiolane 1,1-dioxide
CID 124927900
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-fluoro-4-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42917558

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide (CID 169412450) is 3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide is Cc1cc(F)ccc1-c1cc(C)c2c(C)nn(C3CCS(=O)(=O)C3)c2n1.
What is the InChIKey of 3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide?
The InChIKey is ZFGMECAEUXOZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-11-8-14(20)4-5-16(11)17-9-12(2)18-13(3)22-23(19(18)21-17)15-6-7-26(24,25)10-15/h4-5,8-9,15H,6-7,10H2,1-3H3.
What are the key properties of 3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide?
3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide has a molecular weight of 373.45 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluoro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 169412450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).