2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol

C21H20N4O2 — CID 59825033

IUPAC2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)CN)c3)cc12
InChIInChI=1S/C21H20N4O2/c1-27-19-8-3-2-7-16(19)20-17-10-15(12-23-21(17)25-24-20)13-5-4-6-14(9-13)18(26)11-22/h2-10,12,18,26H,11,22H2,1H3,(H,23,24,25)
InChIKeyMFOKNTMEUHADBQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.29
Rot. Bonds5

About 2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol

2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol (PubChem CID 59825033) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol
PubChem CID59825033
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)CN)c3)cc12
InChIInChI=1S/C21H20N4O2/c1-27-19-8-3-2-7-16(19)20-17-10-15(12-23-21(17)25-24-20)13-5-4-6-14(9-13)18(26)11-22/h2-10,12,18,26H,11,22H2,1H3,(H,23,24,25)
InChIKeyMFOKNTMEUHADBQ-UHFFFAOYSA-N
XLogP3.29
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol?
The IUPAC name of 2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol (CID 59825033) is 2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol?
The canonical SMILES for 2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)CN)c3)cc12.
What is the InChIKey of 2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol?
The InChIKey is MFOKNTMEUHADBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-27-19-8-3-2-7-16(19)20-17-10-15(12-23-21(17)25-24-20)13-5-4-6-14(9-13)18(26)11-22/h2-10,12,18,26H,11,22H2,1H3,(H,23,24,25).
What are the key properties of 2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol?
2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol has a molecular weight of 360.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol is sourced from PubChem (CID 59825033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).