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

C22H21N3O4 — CID 126672848

IUPAC[4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol
SMILESCOc1cc(-c2[nH]nc3nccc(-c4ccc(CO)cc4)c23)cc(OC)c1OC
InChIInChI=1S/C22H21N3O4/c1-27-17-10-15(11-18(28-2)21(17)29-3)20-19-16(8-9-23-22(19)25-24-20)14-6-4-13(12-26)5-7-14/h4-11,26H,12H2,1-3H3,(H,23,24,25)
InChIKeyZQARHJOWKNDAIA-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.81
Rot. Bonds6

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

[4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol (PubChem CID 126672848) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is [4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol
PubChem CID126672848
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name[4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol
SMILESCOc1cc(-c2[nH]nc3nccc(-c4ccc(CO)cc4)c23)cc(OC)c1OC
InChIInChI=1S/C22H21N3O4/c1-27-17-10-15(11-18(28-2)21(17)29-3)20-19-16(8-9-23-22(19)25-24-20)14-6-4-13(12-26)5-7-14/h4-11,26H,12H2,1-3H3,(H,23,24,25)
InChIKeyZQARHJOWKNDAIA-UHFFFAOYSA-N
XLogP3.81
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol?
The IUPAC name of [4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol (CID 126672848) is [4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol?
The canonical SMILES for [4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol is COc1cc(-c2[nH]nc3nccc(-c4ccc(CO)cc4)c23)cc(OC)c1OC.
What is the InChIKey of [4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol?
The InChIKey is ZQARHJOWKNDAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-27-17-10-15(11-18(28-2)21(17)29-3)20-19-16(8-9-23-22(19)25-24-20)14-6-4-13(12-26)5-7-14/h4-11,26H,12H2,1-3H3,(H,23,24,25).
What are the key properties of [4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol?
[4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol has a molecular weight of 391.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol is sourced from PubChem (CID 126672848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).