3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol

C19H16N4O2 — CID 164615361

IUPAC3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol
SMILESCOc1ccc(-c2[nH]nc3ncc(Nc4cccc(O)c4)cc23)cc1
InChIInChI=1S/C19H16N4O2/c1-25-16-7-5-12(6-8-16)18-17-10-14(11-20-19(17)23-22-18)21-13-3-2-4-15(24)9-13/h2-11,21,24H,1H3,(H,20,22,23)
InChIKeyBDWKOEXYKJGIMA-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.08
Rot. Bonds4

About 3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol

3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol (PubChem CID 164615361) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol.

Molecular Properties

Compound Name3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol
PubChem CID164615361
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol
SMILESCOc1ccc(-c2[nH]nc3ncc(Nc4cccc(O)c4)cc23)cc1
InChIInChI=1S/C19H16N4O2/c1-25-16-7-5-12(6-8-16)18-17-10-14(11-20-19(17)23-22-18)21-13-3-2-4-15(24)9-13/h2-11,21,24H,1H3,(H,20,22,23)
InChIKeyBDWKOEXYKJGIMA-UHFFFAOYSA-N
XLogP4.08
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol?
The IUPAC name of 3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol (CID 164615361) is 3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol.
What is the SMILES notation for 3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol?
The canonical SMILES for 3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol is COc1ccc(-c2[nH]nc3ncc(Nc4cccc(O)c4)cc23)cc1.
What is the InChIKey of 3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol?
The InChIKey is BDWKOEXYKJGIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-25-16-7-5-12(6-8-16)18-17-10-14(11-20-19(17)23-22-18)21-13-3-2-4-15(24)9-13/h2-11,21,24H,1H3,(H,20,22,23).
What are the key properties of 3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol?
3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol has a molecular weight of 332.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol is sourced from PubChem (CID 164615361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).