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

C16H14ClN3O3 — CID 2554293

IUPAC(5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1nn(CCO)c2ncc(C(=O)c3cc(Cl)ccc3O)cc12
InChIInChI=1S/C16H14ClN3O3/c1-9-12-6-10(8-18-16(12)20(19-9)4-5-21)15(23)13-7-11(17)2-3-14(13)22/h2-3,6-8,21-22H,4-5H2,1H3
InChIKeyCVZWGXZUPSDNCX-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.32
Rot. Bonds4

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

(5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 2554293) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID2554293
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name(5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1nn(CCO)c2ncc(C(=O)c3cc(Cl)ccc3O)cc12
InChIInChI=1S/C16H14ClN3O3/c1-9-12-6-10(8-18-16(12)20(19-9)4-5-21)15(23)13-7-11(17)2-3-14(13)22/h2-3,6-8,21-22H,4-5H2,1H3
InChIKeyCVZWGXZUPSDNCX-UHFFFAOYSA-N
XLogP2.32
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone (CID 2554293) is (5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone is Cc1nn(CCO)c2ncc(C(=O)c3cc(Cl)ccc3O)cc12.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is CVZWGXZUPSDNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-9-12-6-10(8-18-16(12)20(19-9)4-5-21)15(23)13-7-11(17)2-3-14(13)22/h2-3,6-8,21-22H,4-5H2,1H3.
What are the key properties of (5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
(5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 331.76 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 2554293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).