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

C15H13N3O2 — CID 17457376

IUPAC(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
SMILESCCn1ncc2cc(C(=O)c3ccccc3O)cnc21
InChIInChI=1S/C15H13N3O2/c1-2-18-15-11(9-17-18)7-10(8-16-15)14(20)12-5-3-4-6-13(12)19/h3-9,19H,2H2,1H3
InChIKeyCTNJKLHRLDFWBY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.39
Rot. Bonds3

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

(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone (PubChem CID 17457376) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
PubChem CID17457376
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
SMILESCCn1ncc2cc(C(=O)c3ccccc3O)cnc21
InChIInChI=1S/C15H13N3O2/c1-2-18-15-11(9-17-18)7-10(8-16-15)14(20)12-5-3-4-6-13(12)19/h3-9,19H,2H2,1H3
InChIKeyCTNJKLHRLDFWBY-UHFFFAOYSA-N
XLogP2.39
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone (CID 17457376) is (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone is CCn1ncc2cc(C(=O)c3ccccc3O)cnc21.
What is the InChIKey of (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is CTNJKLHRLDFWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-18-15-11(9-17-18)7-10(8-16-15)14(20)12-5-3-4-6-13(12)19/h3-9,19H,2H2,1H3.
What are the key properties of (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone?
(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 267.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 17457376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).