N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide

C15H16N4OS — CID 19617193

IUPACN-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2n[nH]c3nc(C)cc(C)c23)cs1
InChIInChI=1S/C15H16N4OS/c1-4-11-6-10(7-21-11)15(20)17-14-12-8(2)5-9(3)16-13(12)18-19-14/h5-7H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyVUTOGIKWHYIZLT-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.45
Rot. Bonds3

About N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide

N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide (PubChem CID 19617193) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide
PubChem CID19617193
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2n[nH]c3nc(C)cc(C)c23)cs1
InChIInChI=1S/C15H16N4OS/c1-4-11-6-10(7-21-11)15(20)17-14-12-8(2)5-9(3)16-13(12)18-19-14/h5-7H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyVUTOGIKWHYIZLT-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide (CID 19617193) is N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide is CCc1cc(C(=O)Nc2n[nH]c3nc(C)cc(C)c23)cs1.
What is the InChIKey of N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide?
The InChIKey is VUTOGIKWHYIZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-4-11-6-10(7-21-11)15(20)17-14-12-8(2)5-9(3)16-13(12)18-19-14/h5-7H,4H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide?
N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-ethylthiophene-3-carboxamide is sourced from PubChem (CID 19617193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).