2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol

C19H20N4OS — CID 172582685

IUPAC2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol
SMILESCO.Cn1cc2cc(-c3ccc4cc(C5CCC5)sc4n3)cnc2n1
InChIInChI=1S/C18H16N4S.CH4O/c1-22-10-14-7-13(9-19-17(14)21-22)15-6-5-12-8-16(11-3-2-4-11)23-18(12)20-15;1-2/h5-11H,2-4H2,1H3;2H,1H3
InChIKeyWKALJDUUNYANRQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.12
Rot. Bonds2

About 2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol

2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol (PubChem CID 172582685) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol.

Molecular Properties

Compound Name2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol
PubChem CID172582685
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol
SMILESCO.Cn1cc2cc(-c3ccc4cc(C5CCC5)sc4n3)cnc2n1
InChIInChI=1S/C18H16N4S.CH4O/c1-22-10-14-7-13(9-19-17(14)21-22)15-6-5-12-8-16(11-3-2-4-11)23-18(12)20-15;1-2/h5-11H,2-4H2,1H3;2H,1H3
InChIKeyWKALJDUUNYANRQ-UHFFFAOYSA-N
XLogP4.12
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol?
The IUPAC name of 2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol (CID 172582685) is 2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol.
What is the SMILES notation for 2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol?
The canonical SMILES for 2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol is CO.Cn1cc2cc(-c3ccc4cc(C5CCC5)sc4n3)cnc2n1.
What is the InChIKey of 2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol?
The InChIKey is WKALJDUUNYANRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S.CH4O/c1-22-10-14-7-13(9-19-17(14)21-22)15-6-5-12-8-16(11-3-2-4-11)23-18(12)20-15;1-2/h5-11H,2-4H2,1H3;2H,1H3.
What are the key properties of 2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol?
2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol has a molecular weight of 352.46 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol is sourced from PubChem (CID 172582685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).