2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine

C16H20BFN2O2 — CID 123182504

IUPAC2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
SMILESCC1(C)OB(c2c(C3CC3)nn3ccc(F)cc23)OC1(C)C
InChIInChI=1S/C16H20BFN2O2/c1-15(2)16(3,4)22-17(21-15)13-12-9-11(18)7-8-20(12)19-14(13)10-5-6-10/h7-10H,5-6H2,1-4H3
InChIKeyNGJXXDIILCCWJH-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.65
Rot. Bonds2

About 2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine

2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (PubChem CID 123182504) has the molecular formula C16H20BFN2O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
PubChem CID123182504
Molecular FormulaC16H20BFN2O2
Molecular Weight302.16 g/mol
Exact Mass302.16
IUPAC Name2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
SMILESCC1(C)OB(c2c(C3CC3)nn3ccc(F)cc23)OC1(C)C
InChIInChI=1S/C16H20BFN2O2/c1-15(2)16(3,4)22-17(21-15)13-12-9-11(18)7-8-20(12)19-14(13)10-5-6-10/h7-10H,5-6H2,1-4H3
InChIKeyNGJXXDIILCCWJH-UHFFFAOYSA-N
XLogP2.65
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]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 2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (CID 123182504) is 2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is CC1(C)OB(c2c(C3CC3)nn3ccc(F)cc23)OC1(C)C.
What is the InChIKey of 2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is NGJXXDIILCCWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BFN2O2/c1-15(2)16(3,4)22-17(21-15)13-12-9-11(18)7-8-20(12)19-14(13)10-5-6-10/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 302.16 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 123182504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).