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

C16H14FN3O3 — CID 4884014

IUPAC(5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1nn(CCO)c2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C16H14FN3O3/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
InChIKeyGEGTVUGVEXVHBJ-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.81
Rot. Bonds4

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

(5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 4884014) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID4884014
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name(5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1nn(CCO)c2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C16H14FN3O3/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
InChIKeyGEGTVUGVEXVHBJ-UHFFFAOYSA-N
XLogP1.81
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 16259746
(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
CID 2125445
(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 4884002
(2-hydroxy-5-methylphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 901814
(5-chloro-2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 1211939
(2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 1211941
(5-fluoro-2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 4884005
(5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 2094064
(2-Hydroxyphenyl)(3-methyl-1H-pyrazolo[3,4-b]pyridine-5-yl) ketone
CID 2999473
[1-(4,6-Dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 2387252
4-chloro-2-[1-(2-hydroxyethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]phenol
CID 2554293
(5-Fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 4798154

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone (CID 4884014) is (5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone is Cc1nn(CCO)c2ncc(C(=O)c3cc(F)ccc3O)cc12.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is GEGTVUGVEXVHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/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-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
(5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 315.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 4884014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).