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

C20H20N4O2S — CID 172542038

IUPAC(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
SMILESCn1cc2cc(-c3ccc4cc([C@H](O)C5CCOCC5)sc4n3)cnc2n1
InChIInChI=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
InChIKeyXHBBRDJAVJDVHI-GOSISDBHSA-N
MW380.47 g/mol
LogP3.70
Rot. Bonds3

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 CID172542038
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
SMILESCn1cc2cc(-c3ccc4cc([C@H](O)C5CCOCC5)sc4n3)cnc2n1
InChIInChI=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
InChIKeyXHBBRDJAVJDVHI-GOSISDBHSA-N
XLogP3.70
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).