5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole

C15H9BrF2N4O — CID 70335464

IUPAC5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole
SMILESFC1=C(F)C(c2cnoc2-c2[nH]nc3ncc(Br)cc23)CC=C1
InChIInChI=1S/C15H9BrF2N4O/c16-7-4-9-13(21-22-15(9)19-5-7)14-10(6-20-23-14)8-2-1-3-11(17)12(8)18/h1,3-6,8H,2H2,(H,19,21,22)
InChIKeyFEHQOQJESFFLGV-UHFFFAOYSA-N
MW379.16 g/mol
LogP4.57
Rot. Bonds2

About 5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole

5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole (PubChem CID 70335464) has the molecular formula C15H9BrF2N4O and a molecular weight of 379.16 g/mol. Its IUPAC name is 5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole
PubChem CID70335464
Molecular FormulaC15H9BrF2N4O
Molecular Weight379.16 g/mol
Exact Mass377.99
IUPAC Name5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole
SMILESFC1=C(F)C(c2cnoc2-c2[nH]nc3ncc(Br)cc23)CC=C1
InChIInChI=1S/C15H9BrF2N4O/c16-7-4-9-13(21-22-15(9)19-5-7)14-10(6-20-23-14)8-2-1-3-11(17)12(8)18/h1,3-6,8H,2H2,(H,19,21,22)
InChIKeyFEHQOQJESFFLGV-UHFFFAOYSA-N
XLogP4.57
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.16
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole?
The IUPAC name of 5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole (CID 70335464) is 5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole.
What is the SMILES notation for 5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole?
The canonical SMILES for 5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole is FC1=C(F)C(c2cnoc2-c2[nH]nc3ncc(Br)cc23)CC=C1.
What is the InChIKey of 5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole?
The InChIKey is FEHQOQJESFFLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N4O/c16-7-4-9-13(21-22-15(9)19-5-7)14-10(6-20-23-14)8-2-1-3-11(17)12(8)18/h1,3-6,8H,2H2,(H,19,21,22).
What are the key properties of 5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole?
5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole has a molecular weight of 379.16 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole is sourced from PubChem (CID 70335464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).