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

C20H14FN3O2 — CID 4884005

IUPAC(5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C20H14FN3O2/c1-12-16-9-13(19(26)17-10-14(21)7-8-18(17)25)11-22-20(16)24(23-12)15-5-3-2-4-6-15/h2-11,25H,1H3
InChIKeySIOCZFQDFPVIAQ-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.80
Rot. Bonds3

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

(5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 4884005) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID4884005
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C20H14FN3O2/c1-12-16-9-13(19(26)17-10-14(21)7-8-18(17)25)11-22-20(16)24(23-12)15-5-3-2-4-6-15/h2-11,25H,1H3
InChIKeySIOCZFQDFPVIAQ-UHFFFAOYSA-N
XLogP3.80
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone (CID 4884005) is (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone is Cc1nn(-c2ccccc2)c2ncc(C(=O)c3cc(F)ccc3O)cc12.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is SIOCZFQDFPVIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-12-16-9-13(19(26)17-10-14(21)7-8-18(17)25)11-22-20(16)24(23-12)15-5-3-2-4-6-15/h2-11,25H,1H3.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 347.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 4884005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).