5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

C26H25N5O6 — CID 137106322

IUPAC5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCCOCc1[nH]c(=O)c(-c2nnc(Cn3ncc4ccccc43)o2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C26H25N5O6/c1-4-36-14-16-21(22-18(34-2)10-7-11-19(22)35-3)24(32)23(25(33)28-16)26-30-29-20(37-26)13-31-17-9-6-5-8-15(17)12-27-31/h5-12H,4,13-14H2,1-3H3,(H2,28,32,33)
InChIKeyAVBUFRZOAJTXIF-UHFFFAOYSA-N
MW503.52 g/mol
LogP3.75
Rot. Bonds9

About 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 137106322) has the molecular formula C26H25N5O6 and a molecular weight of 503.52 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
PubChem CID137106322
Molecular FormulaC26H25N5O6
Molecular Weight503.52 g/mol
Exact Mass503.18
IUPAC Name5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCCOCc1[nH]c(=O)c(-c2nnc(Cn3ncc4ccccc43)o2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C26H25N5O6/c1-4-36-14-16-21(22-18(34-2)10-7-11-19(22)35-3)24(32)23(25(33)28-16)26-30-29-20(37-26)13-31-17-9-6-5-8-15(17)12-27-31/h5-12H,4,13-14H2,1-3H3,(H2,28,32,33)
InChIKeyAVBUFRZOAJTXIF-UHFFFAOYSA-N
XLogP3.75
TPSA137.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 137106322) is 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is CCOCc1[nH]c(=O)c(-c2nnc(Cn3ncc4ccccc43)o2)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is AVBUFRZOAJTXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O6/c1-4-36-14-16-21(22-18(34-2)10-7-11-19(22)35-3)24(32)23(25(33)28-16)26-30-29-20(37-26)13-31-17-9-6-5-8-15(17)12-27-31/h5-12H,4,13-14H2,1-3H3,(H2,28,32,33).
What are the key properties of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 503.52 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 137106322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).