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

C20H16N4O3 — CID 145491717

IUPAC2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide
SMILESNC(=O)C(O)c1cccc(-c2cnc3n[nH]c(-c4ccccc4O)c3c2)c1
InChIInChI=1S/C20H16N4O3/c21-19(27)18(26)12-5-3-4-11(8-12)13-9-15-17(23-24-20(15)22-10-13)14-6-1-2-7-16(14)25/h1-10,18,25-26H,(H2,21,27)(H,22,23,24)
InChIKeyXIWQCSUTJSOLRW-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.52
Rot. Bonds4

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

2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide (PubChem CID 145491717) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide
PubChem CID145491717
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide
SMILESNC(=O)C(O)c1cccc(-c2cnc3n[nH]c(-c4ccccc4O)c3c2)c1
InChIInChI=1S/C20H16N4O3/c21-19(27)18(26)12-5-3-4-11(8-12)13-9-15-17(23-24-20(15)22-10-13)14-6-1-2-7-16(14)25/h1-10,18,25-26H,(H2,21,27)(H,22,23,24)
InChIKeyXIWQCSUTJSOLRW-UHFFFAOYSA-N
XLogP2.52
TPSA125.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol
CID 59825033
2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 59824858
(1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol
CID 59825021
2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 145491688
N-(2-cyanoethyl)-2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 59824991
2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(oxan-4-yl)acetamide
CID 59825081
2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine
CID 145491812
3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 164619573
2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane
CID 145491753
N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 59824923
2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 59824993
2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol
CID 59836112

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of 2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide (CID 145491717) is 2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for 2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide is NC(=O)C(O)c1cccc(-c2cnc3n[nH]c(-c4ccccc4O)c3c2)c1.
What is the InChIKey of 2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
The InChIKey is XIWQCSUTJSOLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c21-19(27)18(26)12-5-3-4-11(8-12)13-9-15-17(23-24-20(15)22-10-13)14-6-1-2-7-16(14)25/h1-10,18,25-26H,(H2,21,27)(H,22,23,24).
What are the key properties of 2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-[3-(2-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 145491717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).