1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C14H16N6OS — CID 30550990

IUPAC1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nncs3)c12
InChIInChI=1S/C14H16N6OS/c1-7(2)10-5-9(13(21)17-14-18-15-6-22-14)11-8(3)19-20(4)12(11)16-10/h5-7H,1-4H3,(H,17,18,21)
InChIKeyCDLNKEXWSYURMN-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.50
Rot. Bonds3

About 1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30550990) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30550990
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nncs3)c12
InChIInChI=1S/C14H16N6OS/c1-7(2)10-5-9(13(21)17-14-18-15-6-22-14)11-8(3)19-20(4)12(11)16-10/h5-7H,1-4H3,(H,17,18,21)
InChIKeyCDLNKEXWSYURMN-UHFFFAOYSA-N
XLogP2.50
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-6-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51338496
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52902564
2-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanediamide
CID 56807591
N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32951263
N-(4-acetylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32758884
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30377337
1,3-dimethyl-6-propan-2-yl-N-(1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30864364
N-(2,4-difluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32738959
N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32686520
1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33158849
N-(3-chloro-2-fluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30386091
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46517933

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 30550990) is 1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nncs3)c12.
What is the InChIKey of 1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CDLNKEXWSYURMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-7(2)10-5-9(13(21)17-14-18-15-6-22-14)11-8(3)19-20(4)12(11)16-10/h5-7H,1-4H3,(H,17,18,21).
What are the key properties of 1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30550990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).