6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H24N4O3S — CID 78868896

IUPAC6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCC(O)c3ccco3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C22H24N4O3S/c1-12(2)26-21-17(10-24-26)16(9-18(25-21)15-8-13(3)30-14(15)4)22(28)23-11-19(27)20-6-5-7-29-20/h5-10,12,19,27H,11H2,1-4H3,(H,23,28)
InChIKeyREHLDCXQYHRMMR-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.41
Rot. Bonds6

About 6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78868896) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78868896
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCC(O)c3ccco3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C22H24N4O3S/c1-12(2)26-21-17(10-24-26)16(9-18(25-21)15-8-13(3)30-14(15)4)22(28)23-11-19(27)20-6-5-7-29-20/h5-10,12,19,27H,11H2,1-4H3,(H,23,28)
InChIKeyREHLDCXQYHRMMR-UHFFFAOYSA-N
XLogP4.41
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 24590843
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CID 55734268
6-(2,5-dimethylthiophen-3-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16613695
N-tert-butyl-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55508159
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CID 26002280
6-(2,5-dimethylthiophen-3-yl)-N-[2-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
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CID 46541708
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CID 134006806
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CID 52550656
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 78868896) is 6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCC(O)c3ccco3)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is REHLDCXQYHRMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-12(2)26-21-17(10-24-26)16(9-18(25-21)15-8-13(3)30-14(15)4)22(28)23-11-19(27)20-6-5-7-29-20/h5-10,12,19,27H,11H2,1-4H3,(H,23,28).
What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78868896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).