3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C18H12N4OS — CID 135419038

IUPAC3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(C#N)c(-c3cccs3)c12
InChIInChI=1S/C18H12N4OS/c1-11-15-16(14-8-5-9-24-14)13(10-19)18(23)20-17(15)22(21-11)12-6-3-2-4-7-12/h2-9H,1H3,(H,20,23)
InChIKeyUQWOZNNYFJCPGK-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.62
Rot. Bonds2

About 3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile

3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135419038) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is 3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135419038
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC Name3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(C#N)c(-c3cccs3)c12
InChIInChI=1S/C18H12N4OS/c1-11-15-16(14-8-5-9-24-14)13(10-19)18(23)20-17(15)22(21-11)12-6-3-2-4-7-12/h2-9H,1H3,(H,20,23)
InChIKeyUQWOZNNYFJCPGK-UHFFFAOYSA-N
XLogP3.62
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135419038) is 3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C#N)c(-c3cccs3)c12.
What is the InChIKey of 3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is UQWOZNNYFJCPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c1-11-15-16(14-8-5-9-24-14)13(10-19)18(23)20-17(15)22(21-11)12-6-3-2-4-7-12/h2-9H,1H3,(H,20,23).
What are the key properties of 3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 332.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxo-1-phenyl-4-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135419038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).