4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol

C19H20N4O2S — CID 172542535

About 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol

4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol (PubChem CID 172542535) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol.

Molecular Properties

• Compound Name: 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol
• PubChem CID: 172542535
• Molecular Formula: C19H20N4O2S
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.13
• IUPAC Name: 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol
• SMILES: COCCC(C)(O)c1cc2ccc(-c3cnc4nn(C)cc4c3)nc2s1
• InChI: InChI=1S/C19H20N4O2S/c1-19(24,6-7-25-3)16-9-12-4-5-15(21-18(12)26-16)13-8-14-11-23(2)22-17(14)20-10-13/h4-5,8-11,24H,6-7H2,1-3H3
• InChIKey: VTYPQAZUEYDKLF-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol?

The IUPAC name of 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol (CID 172542535) is 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol.

What is the SMILES notation for 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol?

The canonical SMILES for 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol is COCCC(C)(O)c1cc2ccc(-c3cnc4nn(C)cc4c3)nc2s1.

What is the InChIKey of 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol?

The InChIKey is VTYPQAZUEYDKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-19(24,6-7-25-3)16-9-12-4-5-15(21-18(12)26-16)13-8-14-11-23(2)22-17(14)20-10-13/h4-5,8-11,24H,6-7H2,1-3H3.

What are the key properties of 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol?

4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol has a molecular weight of 368.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol is sourced from PubChem (CID 172542535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).