6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H26N4O3S — CID 42917513

IUPAC6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C23H26N4O3S/c1-13-4-7-17(10-14(13)2)24-23(28)19-11-20(16-5-6-16)25-22-21(19)15(3)26-27(22)18-8-9-31(29,30)12-18/h4,7,10-11,16,18H,5-6,8-9,12H2,1-3H3,(H,24,28)
InChIKeyWPBHDJRQZNONKL-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.85
Rot. Bonds4

About 6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 42917513) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID42917513
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C23H26N4O3S/c1-13-4-7-17(10-14(13)2)24-23(28)19-11-20(16-5-6-16)25-22-21(19)15(3)26-27(22)18-8-9-31(29,30)12-18/h4,7,10-11,16,18H,5-6,8-9,12H2,1-3H3,(H,24,28)
InChIKeyWPBHDJRQZNONKL-UHFFFAOYSA-N
XLogP3.85
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide 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

6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46809415
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25498319
6-cyclopropyl-N-(2,6-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25497379
6-cyclopropyl-N-(3,5-difluorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25495078
6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 41184630
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46540347
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41096296
N-cycloheptyl-6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26918577
N-cycloheptyl-6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26918578
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-fluoro-4-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42917558
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-[3-(tetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 41169351
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 43025552

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 42917513) is 6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C2CCS(=O)(=O)C2)cc1C.
What is the InChIKey of 6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WPBHDJRQZNONKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-13-4-7-17(10-14(13)2)24-23(28)19-11-20(16-5-6-16)25-22-21(19)15(3)26-27(22)18-8-9-31(29,30)12-18/h4,7,10-11,16,18H,5-6,8-9,12H2,1-3H3,(H,24,28).
What are the key properties of 6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 42917513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).