6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine

C17H15N5O2 — CID 11952615

IUPAC6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
SMILESCC(C)Oc1nccc(-c2cc3cn[nH]c3nc2-c2ccco2)n1
InChIInChI=1S/C17H15N5O2/c1-10(2)24-17-18-6-5-13(20-17)12-8-11-9-19-22-16(11)21-15(12)14-4-3-7-23-14/h3-10H,1-2H3,(H,19,21,22)
InChIKeySCHSYYMINKEVIJ-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.46
Rot. Bonds4

About 6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine

6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine (PubChem CID 11952615) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
PubChem CID11952615
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
SMILESCC(C)Oc1nccc(-c2cc3cn[nH]c3nc2-c2ccco2)n1
InChIInChI=1S/C17H15N5O2/c1-10(2)24-17-18-6-5-13(20-17)12-8-11-9-19-22-16(11)21-15(12)14-4-3-7-23-14/h3-10H,1-2H3,(H,19,21,22)
InChIKeySCHSYYMINKEVIJ-UHFFFAOYSA-N
XLogP3.46
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine (CID 11952615) is 6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine is CC(C)Oc1nccc(-c2cc3cn[nH]c3nc2-c2ccco2)n1.
What is the InChIKey of 6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is SCHSYYMINKEVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-10(2)24-17-18-6-5-13(20-17)12-8-11-9-19-22-16(11)21-15(12)14-4-3-7-23-14/h3-10H,1-2H3,(H,19,21,22).
What are the key properties of 6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine?
6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 321.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 11952615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).