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

C19H13FN4O2 — CID 4798154

IUPAC(5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1nn(-c2ccccn2)c2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C19H13FN4O2/c1-11-14-8-12(18(26)15-9-13(20)5-6-16(15)25)10-22-19(14)24(23-11)17-4-2-3-7-21-17/h2-10,25H,1H3
InChIKeySETHUBJTCSXXDD-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.20
Rot. Bonds3

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

(5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 4798154) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID4798154
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1nn(-c2ccccn2)c2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C19H13FN4O2/c1-11-14-8-12(18(26)15-9-13(20)5-6-16(15)25)10-22-19(14)24(23-11)17-4-2-3-7-21-17/h2-10,25H,1H3
InChIKeySETHUBJTCSXXDD-UHFFFAOYSA-N
XLogP3.20
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 4884014
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CID 901814
CID 1211939
CID 1211939
CID 1211941
CID 1211941
CID 4884005
CID 4884005
CID 2094064
CID 2094064
CID 2999473
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CID 44338541
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CID 2088728
CID 2088728

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone (CID 4798154) is (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone is Cc1nn(-c2ccccn2)c2ncc(C(=O)c3cc(F)ccc3O)cc12.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is SETHUBJTCSXXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c1-11-14-8-12(18(26)15-9-13(20)5-6-16(15)25)10-22-19(14)24(23-11)17-4-2-3-7-21-17/h2-10,25H,1H3.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 348.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 4798154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).