3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine

C17H16N4O — CID 71211399

IUPAC3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2cnc3n[nH]c(C4CC=CN4)c3c2)cc1
InChIInChI=1S/C17H16N4O/c1-22-13-6-4-11(5-7-13)12-9-14-16(15-3-2-8-18-15)20-21-17(14)19-10-12/h2,4-10,15,18H,3H2,1H3,(H,19,20,21)
InChIKeyDENUAVYOOZOVQP-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.18
Rot. Bonds3

About 3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine

3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 71211399) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID71211399
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2cnc3n[nH]c(C4CC=CN4)c3c2)cc1
InChIInChI=1S/C17H16N4O/c1-22-13-6-4-11(5-7-13)12-9-14-16(15-3-2-8-18-15)20-21-17(14)19-10-12/h2,4-10,15,18H,3H2,1H3,(H,19,20,21)
InChIKeyDENUAVYOOZOVQP-UHFFFAOYSA-N
XLogP3.18
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (CID 71211399) is 3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is COc1ccc(-c2cnc3n[nH]c(C4CC=CN4)c3c2)cc1.
What is the InChIKey of 3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is DENUAVYOOZOVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-13-6-4-11(5-7-13)12-9-14-16(15-3-2-8-18-15)20-21-17(14)19-10-12/h2,4-10,15,18H,3H2,1H3,(H,19,20,21).
What are the key properties of 3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 292.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 71211399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).