[6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol

C21H21N3O2S — CID 172542050

IUPAC[6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
SMILESCc1[nH]nc2ccc(-c3ccc4cc(C(O)C5CCOCC5)sc4n3)cc12
InChIInChI=1S/C21H21N3O2S/c1-12-16-10-14(2-5-18(16)24-23-12)17-4-3-15-11-19(27-21(15)22-17)20(25)13-6-8-26-9-7-13/h2-5,10-11,13,20,25H,6-9H2,1H3,(H,23,24)
InChIKeyKDWPUBIRXUQDIX-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.61
Rot. Bonds3

About [6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol

[6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol (PubChem CID 172542050) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is [6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol.

Molecular Properties

Compound Name[6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
PubChem CID172542050
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name[6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
SMILESCc1[nH]nc2ccc(-c3ccc4cc(C(O)C5CCOCC5)sc4n3)cc12
InChIInChI=1S/C21H21N3O2S/c1-12-16-10-14(2-5-18(16)24-23-12)17-4-3-15-11-19(27-21(15)22-17)20(25)13-6-8-26-9-7-13/h2-5,10-11,13,20,25H,6-9H2,1H3,(H,23,24)
InChIKeyKDWPUBIRXUQDIX-UHFFFAOYSA-N
XLogP4.61
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?
The IUPAC name of [6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol (CID 172542050) is [6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol.
What is the SMILES notation for [6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?
The canonical SMILES for [6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol is Cc1[nH]nc2ccc(-c3ccc4cc(C(O)C5CCOCC5)sc4n3)cc12.
What is the InChIKey of [6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?
The InChIKey is KDWPUBIRXUQDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-12-16-10-14(2-5-18(16)24-23-12)17-4-3-15-11-19(27-21(15)22-17)20(25)13-6-8-26-9-7-13/h2-5,10-11,13,20,25H,6-9H2,1H3,(H,23,24).
What are the key properties of [6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?
[6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol has a molecular weight of 379.49 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol is sourced from PubChem (CID 172542050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).