(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone

C16H15N3O3 — CID 17457374

IUPAC(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCCn1ncc2cc(C(=O)c3cc(OC)ccc3O)cnc21
InChIInChI=1S/C16H15N3O3/c1-3-19-16-11(9-18-19)6-10(8-17-16)15(21)13-7-12(22-2)4-5-14(13)20/h4-9,20H,3H2,1-2H3
InChIKeyJYVIGUPKAHZQEV-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.40
Rot. Bonds4

About (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone

(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone (PubChem CID 17457374) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone
PubChem CID17457374
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCCn1ncc2cc(C(=O)c3cc(OC)ccc3O)cnc21
InChIInChI=1S/C16H15N3O3/c1-3-19-16-11(9-18-19)6-10(8-17-16)15(21)13-7-12(22-2)4-5-14(13)20/h4-9,20H,3H2,1-2H3
InChIKeyJYVIGUPKAHZQEV-UHFFFAOYSA-N
XLogP2.40
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
The IUPAC name of (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone (CID 17457374) is (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone.
What is the SMILES notation for (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
The canonical SMILES for (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone is CCn1ncc2cc(C(=O)c3cc(OC)ccc3O)cnc21.
What is the InChIKey of (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
The InChIKey is JYVIGUPKAHZQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-19-16-11(9-18-19)6-10(8-17-16)15(21)13-7-12(22-2)4-5-14(13)20/h4-9,20H,3H2,1-2H3.
What are the key properties of (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone has a molecular weight of 297.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methoxyphenyl)methanone is sourced from PubChem (CID 17457374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).