6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine

C23H23F2N5O2 — CID 59810852

IUPAC6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine
SMILESCCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc(OC(F)F)cc3)ccc12
InChIInChI=1S/C23H23F2N5O2/c1-2-19-18-7-8-20(27-22(18)30(28-19)16-10-13-31-14-11-16)21-9-12-26-29(21)15-3-5-17(6-4-15)32-23(24)25/h3-9,12,16,23H,2,10-11,13-14H2,1H3
InChIKeyWKLIESXXIORATA-UHFFFAOYSA-N
MW439.47 g/mol
LogP4.80
Rot. Bonds6

About 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine

6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine (PubChem CID 59810852) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine
PubChem CID59810852
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine
SMILESCCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc(OC(F)F)cc3)ccc12
InChIInChI=1S/C23H23F2N5O2/c1-2-19-18-7-8-20(27-22(18)30(28-19)16-10-13-31-14-11-16)21-9-12-26-29(21)15-3-5-17(6-4-15)32-23(24)25/h3-9,12,16,23H,2,10-11,13-14H2,1H3
InChIKeyWKLIESXXIORATA-UHFFFAOYSA-N
XLogP4.80
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine 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 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine (CID 59810852) is 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine is CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc(OC(F)F)cc3)ccc12.
What is the InChIKey of 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine?
The InChIKey is WKLIESXXIORATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-2-19-18-7-8-20(27-22(18)30(28-19)16-10-13-31-14-11-16)21-9-12-26-29(21)15-3-5-17(6-4-15)32-23(24)25/h3-9,12,16,23H,2,10-11,13-14H2,1H3.
What are the key properties of 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine?
6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine has a molecular weight of 439.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 59810852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).