6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol

C18H20N2O2 — CID 155539032

IUPAC6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCCC(C)Oc1ccccc1Cn1cc2ncccc2c1O
InChIInChI=1S/C18H20N2O2/c1-3-13(2)22-17-9-5-4-7-14(17)11-20-12-16-15(18(20)21)8-6-10-19-16/h4-10,12-13,21H,3,11H2,1-2H3
InChIKeyZEFLJYXHGRFBNP-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.97
Rot. Bonds5

About 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol

6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 155539032) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID155539032
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCCC(C)Oc1ccccc1Cn1cc2ncccc2c1O
InChIInChI=1S/C18H20N2O2/c1-3-13(2)22-17-9-5-4-7-14(17)11-20-12-16-15(18(20)21)8-6-10-19-16/h4-10,12-13,21H,3,11H2,1-2H3
InChIKeyZEFLJYXHGRFBNP-UHFFFAOYSA-N
XLogP3.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (CID 155539032) is 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is CCC(C)Oc1ccccc1Cn1cc2ncccc2c1O.
What is the InChIKey of 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is ZEFLJYXHGRFBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-13(2)22-17-9-5-4-7-14(17)11-20-12-16-15(18(20)21)8-6-10-19-16/h4-10,12-13,21H,3,11H2,1-2H3.
What are the key properties of 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 296.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 155539032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).