3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine

C22H17BrN6 — CID 123872705

IUPAC3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine
SMILESBrc1cnc2c(c1)nc(-c1ccccc1)n2Cc1cnnn1Cc1ccccc1
InChIInChI=1S/C22H17BrN6/c23-18-11-20-22(24-12-18)28(21(26-20)17-9-5-2-6-10-17)15-19-13-25-27-29(19)14-16-7-3-1-4-8-16/h1-13H,14-15H2
InChIKeyQANFSWQYTPDLQF-UHFFFAOYSA-N
MW445.32 g/mol
LogP4.55
Rot. Bonds5

About 3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine

3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine (PubChem CID 123872705) has the molecular formula C22H17BrN6 and a molecular weight of 445.32 g/mol. Its IUPAC name is 3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine
PubChem CID123872705
Molecular FormulaC22H17BrN6
Molecular Weight445.32 g/mol
Exact Mass444.07
IUPAC Name3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine
SMILESBrc1cnc2c(c1)nc(-c1ccccc1)n2Cc1cnnn1Cc1ccccc1
InChIInChI=1S/C22H17BrN6/c23-18-11-20-22(24-12-18)28(21(26-20)17-9-5-2-6-10-17)15-19-13-25-27-29(19)14-16-7-3-1-4-8-16/h1-13H,14-15H2
InChIKeyQANFSWQYTPDLQF-UHFFFAOYSA-N
XLogP4.55
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine (CID 123872705) is 3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine is Brc1cnc2c(c1)nc(-c1ccccc1)n2Cc1cnnn1Cc1ccccc1.
What is the InChIKey of 3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine?
The InChIKey is QANFSWQYTPDLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN6/c23-18-11-20-22(24-12-18)28(21(26-20)17-9-5-2-6-10-17)15-19-13-25-27-29(19)14-16-7-3-1-4-8-16/h1-13H,14-15H2.
What are the key properties of 3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine?
3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine has a molecular weight of 445.32 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyltriazol-4-yl)methyl]-6-bromo-2-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 123872705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).