[6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol

C23H20N6O2 — CID 118664159

IUPAC[6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCc1cccc(-c2cc(-c3nnc(C)o3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H20N6O2/c1-3-16-6-4-8-20(25-16)15-10-18(23-28-27-14(2)31-23)19-12-24-29(21(19)11-15)22-9-5-7-17(13-30)26-22/h4-12,30H,3,13H2,1-2H3
InChIKeyGHSTYMAZYLNMCW-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.90
Rot. Bonds5

About [6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664159) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is [6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664159
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name[6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCc1cccc(-c2cc(-c3nnc(C)o3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H20N6O2/c1-3-16-6-4-8-20(25-16)15-10-18(23-28-27-14(2)31-23)19-12-24-29(21(19)11-15)22-9-5-7-17(13-30)26-22/h4-12,30H,3,13H2,1-2H3
InChIKeyGHSTYMAZYLNMCW-UHFFFAOYSA-N
XLogP3.90
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol (CID 118664159) is [6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol is CCc1cccc(-c2cc(-c3nnc(C)o3)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is GHSTYMAZYLNMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-3-16-6-4-8-20(25-16)15-10-18(23-28-27-14(2)31-23)19-12-24-29(21(19)11-15)22-9-5-7-17(13-30)26-22/h4-12,30H,3,13H2,1-2H3.
What are the key properties of [6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 412.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(6-ethyl-2-pyridinyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).