3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine

C13H11N3O — CID 71576789

IUPAC3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1coc(-c2ccnc3n[nH]c(C4CC4)c23)c1
InChIInChI=1S/C13H11N3O/c1-2-10(17-7-1)9-5-6-14-13-11(9)12(15-16-13)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,15,16)
InChIKeyCVODVHVJEVVKKB-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.10
Rot. Bonds2

About 3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine

3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 71576789) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID71576789
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1coc(-c2ccnc3n[nH]c(C4CC4)c23)c1
InChIInChI=1S/C13H11N3O/c1-2-10(17-7-1)9-5-6-14-13-11(9)12(15-16-13)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,15,16)
InChIKeyCVODVHVJEVVKKB-UHFFFAOYSA-N
XLogP3.10
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 71576789) is 3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1coc(-c2ccnc3n[nH]c(C4CC4)c23)c1.
What is the InChIKey of 3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is CVODVHVJEVVKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-10(17-7-1)9-5-6-14-13-11(9)12(15-16-13)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,15,16).
What are the key properties of 3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine?
3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 225.25 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 71576789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).