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

C19H15N3O2 — CID 59836112

IUPAC2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol
SMILESCOc1cc(-c2cnc3n[nH]c(-c4ccccc4)c3c2)ccc1O
InChIInChI=1S/C19H15N3O2/c1-24-17-10-13(7-8-16(17)23)14-9-15-18(12-5-3-2-4-6-12)21-22-19(15)20-11-14/h2-11,23H,1H3,(H,20,21,22)
InChIKeyLVXMBLXOIHLFHC-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.01
Rot. Bonds3

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

2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol (PubChem CID 59836112) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol
PubChem CID59836112
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol
SMILESCOc1cc(-c2cnc3n[nH]c(-c4ccccc4)c3c2)ccc1O
InChIInChI=1S/C19H15N3O2/c1-24-17-10-13(7-8-16(17)23)14-9-15-18(12-5-3-2-4-6-12)21-22-19(15)20-11-14/h2-11,23H,1H3,(H,20,21,22)
InChIKeyLVXMBLXOIHLFHC-UHFFFAOYSA-N
XLogP4.01
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol?
The IUPAC name of 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol (CID 59836112) is 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol?
The canonical SMILES for 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol is COc1cc(-c2cnc3n[nH]c(-c4ccccc4)c3c2)ccc1O.
What is the InChIKey of 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol?
The InChIKey is LVXMBLXOIHLFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-24-17-10-13(7-8-16(17)23)14-9-15-18(12-5-3-2-4-6-12)21-22-19(15)20-11-14/h2-11,23H,1H3,(H,20,21,22).
What are the key properties of 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol?
2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol has a molecular weight of 317.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol is sourced from PubChem (CID 59836112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).