N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide

C20H16N4O2 — CID 164628142

IUPACN-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1
InChIInChI=1S/C20H16N4O2/c1-12(25)22-16-6-2-13(3-7-16)15-10-18-19(23-24-20(18)21-11-15)14-4-8-17(26)9-5-14/h2-11,26H,1H3,(H,22,25)(H,21,23,24)
InChIKeyYZRYFNIKUFKPIC-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.96
Rot. Bonds3

About N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide

N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide (PubChem CID 164628142) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide
PubChem CID164628142
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1
InChIInChI=1S/C20H16N4O2/c1-12(25)22-16-6-2-13(3-7-16)15-10-18-19(23-24-20(18)21-11-15)14-4-8-17(26)9-5-14/h2-11,26H,1H3,(H,22,25)(H,21,23,24)
InChIKeyYZRYFNIKUFKPIC-UHFFFAOYSA-N
XLogP3.96
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide (CID 164628142) is N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1.
What is the InChIKey of N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
The InChIKey is YZRYFNIKUFKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-12(25)22-16-6-2-13(3-7-16)15-10-18-19(23-24-20(18)21-11-15)14-4-8-17(26)9-5-14/h2-11,26H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 164628142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).