3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine

C15H20BN3O2 — CID 74890228

IUPAC3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine
SMILESCn1cnc2cc(/C=C/B3OC(C)(C)C(C)(C)O3)cnc21
InChIInChI=1S/C15H20BN3O2/c1-14(2)15(3,4)21-16(20-14)7-6-11-8-12-13(17-9-11)19(5)10-18-12/h6-10H,1-5H3/b7-6+
InChIKeyUBKMZEZBPRASRY-VOTSOKGWSA-N
MW285.16 g/mol
LogP2.61
Rot. Bonds2

About 3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine

3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine (PubChem CID 74890228) has the molecular formula C15H20BN3O2 and a molecular weight of 285.16 g/mol. Its IUPAC name is 3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine
PubChem CID74890228
Molecular FormulaC15H20BN3O2
Molecular Weight285.16 g/mol
Exact Mass285.16
IUPAC Name3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine
SMILESCn1cnc2cc(/C=C/B3OC(C)(C)C(C)(C)O3)cnc21
InChIInChI=1S/C15H20BN3O2/c1-14(2)15(3,4)21-16(20-14)7-6-11-8-12-13(17-9-11)19(5)10-18-12/h6-10H,1-5H3/b7-6+
InChIKeyUBKMZEZBPRASRY-VOTSOKGWSA-N
XLogP2.61
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine (CID 74890228) is 3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine is Cn1cnc2cc(/C=C/B3OC(C)(C)C(C)(C)O3)cnc21.
What is the InChIKey of 3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine?
The InChIKey is UBKMZEZBPRASRY-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H20BN3O2/c1-14(2)15(3,4)21-16(20-14)7-6-11-8-12-13(17-9-11)19(5)10-18-12/h6-10H,1-5H3/b7-6+.
What are the key properties of 3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine?
3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine has a molecular weight of 285.16 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 74890228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).