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

C19H19N3O3 — CID 125422260

IUPAC(2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1nn(C2CCOCC2)c2ncc(C(=O)c3ccccc3O)cc12
InChIInChI=1S/C19H19N3O3/c1-12-16-10-13(18(24)15-4-2-3-5-17(15)23)11-20-19(16)22(21-12)14-6-8-25-9-7-14/h2-5,10-11,14,23H,6-9H2,1H3
InChIKeyPBXQBODTEDBCDC-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.03
Rot. Bonds3

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

(2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 125422260) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID125422260
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1nn(C2CCOCC2)c2ncc(C(=O)c3ccccc3O)cc12
InChIInChI=1S/C19H19N3O3/c1-12-16-10-13(18(24)15-4-2-3-5-17(15)23)11-20-19(16)22(21-12)14-6-8-25-9-7-14/h2-5,10-11,14,23H,6-9H2,1H3
InChIKeyPBXQBODTEDBCDC-UHFFFAOYSA-N
XLogP3.03
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone (CID 125422260) is (2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone is Cc1nn(C2CCOCC2)c2ncc(C(=O)c3ccccc3O)cc12.
What is the InChIKey of (2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is PBXQBODTEDBCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-16-10-13(18(24)15-4-2-3-5-17(15)23)11-20-19(16)22(21-12)14-6-8-25-9-7-14/h2-5,10-11,14,23H,6-9H2,1H3.
What are the key properties of (2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
(2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 125422260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).