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

C24H23N5O2S — CID 16592751

IUPAC6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc4nc(C)sc4c3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C24H23N5O2S/c1-12(2)29-23-19(11-25-29)18(10-21(28-23)17-8-13(3)31-14(17)4)24(30)27-16-6-7-20-22(9-16)32-15(5)26-20/h6-12H,1-5H3,(H,27,30)
InChIKeyLZGFGMXAGRVBBY-UHFFFAOYSA-N
MW445.55 g/mol
LogP6.06
Rot. Bonds4

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

6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16592751) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16592751
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc4nc(C)sc4c3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C24H23N5O2S/c1-12(2)29-23-19(11-25-29)18(10-21(28-23)17-8-13(3)31-14(17)4)24(30)27-16-6-7-20-22(9-16)32-15(5)26-20/h6-12H,1-5H3,(H,27,30)
InChIKeyLZGFGMXAGRVBBY-UHFFFAOYSA-N
XLogP6.06
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16592751) is 6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-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-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3ccc4nc(C)sc4c3)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LZGFGMXAGRVBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-12(2)29-23-19(11-25-29)18(10-21(28-23)17-8-13(3)31-14(17)4)24(30)27-16-6-7-20-22(9-16)32-15(5)26-20/h6-12H,1-5H3,(H,27,30).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16592751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).