1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C13H13N5O2S — CID 51097783

IUPAC1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(C)s2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C13H13N5O2S/c1-6-4-8(9-10(15-6)18(3)17-12(9)20)11(19)16-13-14-5-7(2)21-13/h4-5H,1-3H3,(H,17,20)(H,14,16,19)
InChIKeyUPPKRMHKAANWMD-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.59
Rot. Bonds2

About 1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51097783) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID51097783
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(C)s2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C13H13N5O2S/c1-6-4-8(9-10(15-6)18(3)17-12(9)20)11(19)16-13-14-5-7(2)21-13/h4-5H,1-3H3,(H,17,20)(H,14,16,19)
InChIKeyUPPKRMHKAANWMD-UHFFFAOYSA-N
XLogP1.59
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 51097783) is 1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ncc(C)s2)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of 1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is UPPKRMHKAANWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-6-4-8(9-10(15-6)18(3)17-12(9)20)11(19)16-13-14-5-7(2)21-13/h4-5H,1-3H3,(H,17,20)(H,14,16,19).
What are the key properties of 1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 303.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51097783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).