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

C15H13FN4O2 — CID 59448067

IUPACN-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cnc2c(c1)c(-c1cc(O)ccc1F)nn2C
InChIInChI=1S/C15H13FN4O2/c1-8(21)18-9-5-12-14(19-20(2)15(12)17-7-9)11-6-10(22)3-4-13(11)16/h3-7,22H,1-2H3,(H,18,21)
InChIKeyRBUUXAVFLVGKJC-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.44
Rot. Bonds2

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

N-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide (PubChem CID 59448067) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide
PubChem CID59448067
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cnc2c(c1)c(-c1cc(O)ccc1F)nn2C
InChIInChI=1S/C15H13FN4O2/c1-8(21)18-9-5-12-14(19-20(2)15(12)17-7-9)11-6-10(22)3-4-13(11)16/h3-7,22H,1-2H3,(H,18,21)
InChIKeyRBUUXAVFLVGKJC-UHFFFAOYSA-N
XLogP2.44
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide (CID 59448067) is N-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide is CC(=O)Nc1cnc2c(c1)c(-c1cc(O)ccc1F)nn2C.
What is the InChIKey of N-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide?
The InChIKey is RBUUXAVFLVGKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-8(21)18-9-5-12-14(19-20(2)15(12)17-7-9)11-6-10(22)3-4-13(11)16/h3-7,22H,1-2H3,(H,18,21).
What are the key properties of N-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide?
N-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide has a molecular weight of 300.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-5-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide is sourced from PubChem (CID 59448067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).