1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C18H20N4O3S2 — CID 42939314

IUPAC1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC3(C)CCS(=O)(=O)C3)c12
InChIInChI=1S/C18H20N4O3S2/c1-11-15-12(17(23)20-18(2)6-8-27(24,25)10-18)9-13(14-5-4-7-26-14)19-16(15)22(3)21-11/h4-5,7,9H,6,8,10H2,1-3H3,(H,20,23)
InChIKeyKHEPZQLAZRBRBV-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.31
Rot. Bonds3

About 1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 42939314) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID42939314
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC Name1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC3(C)CCS(=O)(=O)C3)c12
InChIInChI=1S/C18H20N4O3S2/c1-11-15-12(17(23)20-18(2)6-8-27(24,25)10-18)9-13(14-5-4-7-26-14)19-16(15)22(3)21-11/h4-5,7,9H,6,8,10H2,1-3H3,(H,20,23)
InChIKeyKHEPZQLAZRBRBV-UHFFFAOYSA-N
XLogP2.31
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55621989
1,3-dimethyl-N-[3-(methylamino)propyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119432081
N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111428920
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110001025
N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823072
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119348272
1,3-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822456
N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56518414
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35357579
1,3-dimethyl-N-[(3-methylphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55558498
1,3-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60616772
1,3-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46540837

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 42939314) is 1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC3(C)CCS(=O)(=O)C3)c12.
What is the InChIKey of 1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KHEPZQLAZRBRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-11-15-12(17(23)20-18(2)6-8-27(24,25)10-18)9-13(14-5-4-7-26-14)19-16(15)22(3)21-11/h4-5,7,9H,6,8,10H2,1-3H3,(H,20,23).
What are the key properties of 1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 42939314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).