3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine

C18H18BrFN4 — CID 168886292

IUPAC3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine
SMILESNC1CCCC(n2c(-c3ccccc3F)nc3cnc(Br)cc32)C1
InChIInChI=1S/C18H18BrFN4/c19-17-9-16-15(10-22-17)23-18(13-6-1-2-7-14(13)20)24(16)12-5-3-4-11(21)8-12/h1-2,6-7,9-12H,3-5,8,21H2
InChIKeyACABOQWIZCQLPY-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.44
Rot. Bonds2

About 3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine

3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine (PubChem CID 168886292) has the molecular formula C18H18BrFN4 and a molecular weight of 389.27 g/mol. Its IUPAC name is 3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine
PubChem CID168886292
Molecular FormulaC18H18BrFN4
Molecular Weight389.27 g/mol
Exact Mass388.07
IUPAC Name3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine
SMILESNC1CCCC(n2c(-c3ccccc3F)nc3cnc(Br)cc32)C1
InChIInChI=1S/C18H18BrFN4/c19-17-9-16-15(10-22-17)23-18(13-6-1-2-7-14(13)20)24(16)12-5-3-4-11(21)8-12/h1-2,6-7,9-12H,3-5,8,21H2
InChIKeyACABOQWIZCQLPY-UHFFFAOYSA-N
XLogP4.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine?
The IUPAC name of 3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine (CID 168886292) is 3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine is NC1CCCC(n2c(-c3ccccc3F)nc3cnc(Br)cc32)C1.
What is the InChIKey of 3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine?
The InChIKey is ACABOQWIZCQLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN4/c19-17-9-16-15(10-22-17)23-18(13-6-1-2-7-14(13)20)24(16)12-5-3-4-11(21)8-12/h1-2,6-7,9-12H,3-5,8,21H2.
What are the key properties of 3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine?
3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine has a molecular weight of 389.27 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 168886292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).