6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H28N6O4S — CID 55560418

IUPAC6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C24H28N6O4S/c1-13(2)29-23-20(11-25-29)19(10-21(26-23)18-9-15(4)34-16(18)5)24(31)27-22-8-14(3)28-30(22)17-6-7-35(32,33)12-17/h8-11,13,17H,6-7,12H2,1-5H3,(H,27,31)
InChIKeyBFPIOLZTAAACID-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.01
Rot. Bonds5

About 6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55560418) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55560418
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C24H28N6O4S/c1-13(2)29-23-20(11-25-29)19(10-21(26-23)18-9-15(4)34-16(18)5)24(31)27-22-8-14(3)28-30(22)17-6-7-35(32,33)12-17/h8-11,13,17H,6-7,12H2,1-5H3,(H,27,31)
InChIKeyBFPIOLZTAAACID-UHFFFAOYSA-N
XLogP4.01
TPSA124.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55572629
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55556612
6-(2,5-dimethylfuran-3-yl)-1-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78859788
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
6-(2,5-dimethylfuran-3-yl)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119382405
6-(2,5-dimethylfuran-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112807922
N-butyl-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485914
6-(2,5-dimethylfuran-3-yl)-N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207119
N-[1-(aminomethyl)cyclopentyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119565233
N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16591231
N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119405283

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55560418) is 6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)n(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BFPIOLZTAAACID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-13(2)29-23-20(11-25-29)19(10-21(26-23)18-9-15(4)34-16(18)5)24(31)27-22-8-14(3)28-30(22)17-6-7-35(32,33)12-17/h8-11,13,17H,6-7,12H2,1-5H3,(H,27,31).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55560418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).