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

C20H17N5O2 — CID 164619035

IUPAC[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccc(NC(N)=O)cc4)cc23)cc1
InChIInChI=1S/C20H17N5O2/c1-27-16-8-4-13(5-9-16)18-17-10-14(11-22-19(17)25-24-18)12-2-6-15(7-3-12)23-20(21)26/h2-11H,1H3,(H3,21,23,26)(H,22,24,25)
InChIKeyAPFOPVHPNQUBPI-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.79
Rot. Bonds4

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

[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea (PubChem CID 164619035) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is [4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea.

Molecular Properties

Compound Name[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea
PubChem CID164619035
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccc(NC(N)=O)cc4)cc23)cc1
InChIInChI=1S/C20H17N5O2/c1-27-16-8-4-13(5-9-16)18-17-10-14(11-22-19(17)25-24-18)12-2-6-15(7-3-12)23-20(21)26/h2-11H,1H3,(H3,21,23,26)(H,22,24,25)
InChIKeyAPFOPVHPNQUBPI-UHFFFAOYSA-N
XLogP3.79
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea?
The IUPAC name of [4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea (CID 164619035) is [4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea.
What is the SMILES notation for [4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea?
The canonical SMILES for [4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea is COc1ccc(-c2[nH]nc3ncc(-c4ccc(NC(N)=O)cc4)cc23)cc1.
What is the InChIKey of [4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea?
The InChIKey is APFOPVHPNQUBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-16-8-4-13(5-9-16)18-17-10-14(11-22-19(17)25-24-18)12-2-6-15(7-3-12)23-20(21)26/h2-11H,1H3,(H3,21,23,26)(H,22,24,25).
What are the key properties of [4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea?
[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea has a molecular weight of 359.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea is sourced from PubChem (CID 164619035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).