1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine

C18H20BN3O2 — CID 146709658

IUPAC1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
SMILESCC1(C)OB(c2cnc3c(cnn3-c3ccccc3)c2)OC1(C)C
InChIInChI=1S/C18H20BN3O2/c1-17(2)18(3,4)24-19(23-17)14-10-13-11-21-22(16(13)20-12-14)15-8-6-5-7-9-15/h5-12H,1-4H3
InChIKeyRBFNDRZIMFKHTL-UHFFFAOYSA-N
MW321.19 g/mol
LogP2.72
Rot. Bonds2

About 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine

1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 146709658) has the molecular formula C18H20BN3O2 and a molecular weight of 321.19 g/mol. Its IUPAC name is 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID146709658
Molecular FormulaC18H20BN3O2
Molecular Weight321.19 g/mol
Exact Mass321.16
IUPAC Name1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
SMILESCC1(C)OB(c2cnc3c(cnn3-c3ccccc3)c2)OC1(C)C
InChIInChI=1S/C18H20BN3O2/c1-17(2)18(3,4)24-19(23-17)14-10-13-11-21-22(16(13)20-12-14)15-8-6-5-7-9-15/h5-12H,1-4H3
InChIKeyRBFNDRZIMFKHTL-UHFFFAOYSA-N
XLogP2.72
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 46830501
5-(2,2-dimethylpropyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-5-ium
CID 91510089
1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 56965771
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,8-naphthyridine
CID 58516857
3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole
CID 144781048
2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phthalazin-1-one
CID 166126383
2-fluoro-5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenol
CID 163234419
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridine
CID 175653952
2-fluoro-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
CID 172645063
4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,6-diphenylpyridine
CID 70847694
2,6-dipyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 102315200
trimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridin-2-yl]silane
CID 76848426

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine (CID 146709658) is 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine is CC1(C)OB(c2cnc3c(cnn3-c3ccccc3)c2)OC1(C)C.
What is the InChIKey of 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is RBFNDRZIMFKHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BN3O2/c1-17(2)18(3,4)24-19(23-17)14-10-13-11-21-22(16(13)20-12-14)15-8-6-5-7-9-15/h5-12H,1-4H3.
What are the key properties of 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 321.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 146709658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).