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

C19H15N5O2 — CID 164619498

IUPAC[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea
SMILESNC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1
InChIInChI=1S/C19H15N5O2/c20-19(26)22-14-5-1-11(2-6-14)13-9-16-17(23-24-18(16)21-10-13)12-3-7-15(25)8-4-12/h1-10,25H,(H3,20,22,26)(H,21,23,24)
InChIKeyJTMAMGUAICBCGY-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.49
Rot. Bonds3

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

[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea (PubChem CID 164619498) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is [4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea.

Molecular Properties

Compound Name[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea
PubChem CID164619498
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea
SMILESNC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1
InChIInChI=1S/C19H15N5O2/c20-19(26)22-14-5-1-11(2-6-14)13-9-16-17(23-24-18(16)21-10-13)12-3-7-15(25)8-4-12/h1-10,25H,(H3,20,22,26)(H,21,23,24)
InChIKeyJTMAMGUAICBCGY-UHFFFAOYSA-N
XLogP3.49
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea?
The IUPAC name of [4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea (CID 164619498) is [4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea.
What is the SMILES notation for [4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea?
The canonical SMILES for [4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea is NC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1.
What is the InChIKey of [4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea?
The InChIKey is JTMAMGUAICBCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c20-19(26)22-14-5-1-11(2-6-14)13-9-16-17(23-24-18(16)21-10-13)12-3-7-15(25)8-4-12/h1-10,25H,(H3,20,22,26)(H,21,23,24).
What are the key properties of [4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea?
[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea has a molecular weight of 345.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea is sourced from PubChem (CID 164619498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).