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

C16H23BN2O2 — CID 157041443

IUPAC3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
SMILESCC(C)c1cnn2ccc(B3OC(C)(C)C(C)(C)O3)cc12
InChIInChI=1S/C16H23BN2O2/c1-11(2)13-10-18-19-8-7-12(9-14(13)19)17-20-15(3,4)16(5,6)21-17/h7-11H,1-6H3
InChIKeyARNCBZKZWKTUJG-UHFFFAOYSA-N
MW286.18 g/mol
LogP2.76
Rot. Bonds2

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

3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (PubChem CID 157041443) has the molecular formula C16H23BN2O2 and a molecular weight of 286.18 g/mol. Its IUPAC name is 3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
PubChem CID157041443
Molecular FormulaC16H23BN2O2
Molecular Weight286.18 g/mol
Exact Mass286.19
IUPAC Name3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
SMILESCC(C)c1cnn2ccc(B3OC(C)(C)C(C)(C)O3)cc12
InChIInChI=1S/C16H23BN2O2/c1-11(2)13-10-18-19-8-7-12(9-14(13)19)17-20-15(3,4)16(5,6)21-17/h7-11H,1-6H3
InChIKeyARNCBZKZWKTUJG-UHFFFAOYSA-N
XLogP2.76
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile
CID 140842248
ethane;3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155742340
2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 137333076
N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanamine
CID 172738407
3-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 142510516
1-[(2S)-4-methylpentan-2-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 140824969
2-(3-methoxy-5-propan-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164891377
6-fluoro-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 146480414
1-[(4-propan-2-ylphenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 137333341
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-2-carbonitrile
CID 89467347
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazol-3-one
CID 150005175
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155282165

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (CID 157041443) is 3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is CC(C)c1cnn2ccc(B3OC(C)(C)C(C)(C)O3)cc12.
What is the InChIKey of 3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is ARNCBZKZWKTUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BN2O2/c1-11(2)13-10-18-19-8-7-12(9-14(13)19)17-20-15(3,4)16(5,6)21-17/h7-11H,1-6H3.
What are the key properties of 3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 286.18 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 157041443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).