(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol

C20H20N4O2S — CID 172542038

About (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol

(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol (PubChem CID 172542038) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol.

Molecular Properties

• Compound Name: (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
• PubChem CID: 172542038
• Molecular Formula: C20H20N4O2S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.13
• IUPAC Name: (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
• SMILES: Cn1cc2cc(-c3ccc4cc([C@H](O)C5CCOCC5)sc4n3)cnc2n1
• InChI: InChI=1S/C20H20N4O2S/c1-24-11-15-8-14(10-21-19(15)23-24)16-3-2-13-9-17(27-20(13)22-16)18(25)12-4-6-26-7-5-12/h2-3,8-12,18,25H,4-7H2,1H3/t18-/m1/s1
• InChIKey: XHBBRDJAVJDVHI-GOSISDBHSA-N
• XLogP: 3.70
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?

The IUPAC name of (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol (CID 172542038) is (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol.

What is the SMILES notation for (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?

The canonical SMILES for (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol is Cn1cc2cc(-c3ccc4cc([C@H](O)C5CCOCC5)sc4n3)cnc2n1.

What is the InChIKey of (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?

The InChIKey is XHBBRDJAVJDVHI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-24-11-15-8-14(10-21-19(15)23-24)16-3-2-13-9-17(27-20(13)22-16)18(25)12-4-6-26-7-5-12/h2-3,8-12,18,25H,4-7H2,1H3/t18-/m1/s1.

What are the key properties of (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?

(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol has a molecular weight of 380.47 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol is sourced from PubChem (CID 172542038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).