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

C21H20Cl2N4O3S — CID 46809415

IUPAC6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c12
InChIInChI=1S/C21H20Cl2N4O3S/c1-11-19-15(21(28)24-13-4-5-16(22)17(23)8-13)9-18(12-2-3-12)25-20(19)27(26-11)14-6-7-31(29,30)10-14/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3,(H,24,28)
InChIKeyOHEDBRYDSMDFJY-UHFFFAOYSA-N
MW479.39 g/mol
LogP4.54
Rot. Bonds4

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

6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46809415) has the molecular formula C21H20Cl2N4O3S and a molecular weight of 479.39 g/mol. Its IUPAC name is 6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46809415
Molecular FormulaC21H20Cl2N4O3S
Molecular Weight479.39 g/mol
Exact Mass478.06
IUPAC Name6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c12
InChIInChI=1S/C21H20Cl2N4O3S/c1-11-19-15(21(28)24-13-4-5-16(22)17(23)8-13)9-18(12-2-3-12)25-20(19)27(26-11)14-6-7-31(29,30)10-14/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3,(H,24,28)
InChIKeyOHEDBRYDSMDFJY-UHFFFAOYSA-N
XLogP4.54
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-N-(3,4-dichlorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46809415) is 6-cyclopropyl-N-(3,4-dichlorophenyl)-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-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c12.
What is the InChIKey of 6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OHEDBRYDSMDFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3S/c1-11-19-15(21(28)24-13-4-5-16(22)17(23)8-13)9-18(12-2-3-12)25-20(19)27(26-11)14-6-7-31(29,30)10-14/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3,(H,24,28).
What are the key properties of 6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 479.39 g/mol, XLogP of 4.54, 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-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46809415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).