6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine

C17H17BrN4 — CID 1154355

IUPAC6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc2nc(-c3ccncc3)c(NC3CCCC3)n2c1
InChIInChI=1S/C17H17BrN4/c18-13-5-6-15-21-16(12-7-9-19-10-8-12)17(22(15)11-13)20-14-3-1-2-4-14/h5-11,14,20H,1-4H2
InChIKeyXQNHYPUYQMUDMS-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.51
Rot. Bonds3

About 6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine

6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 1154355) has the molecular formula C17H17BrN4 and a molecular weight of 357.25 g/mol. Its IUPAC name is 6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID1154355
Molecular FormulaC17H17BrN4
Molecular Weight357.25 g/mol
Exact Mass356.06
IUPAC Name6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc2nc(-c3ccncc3)c(NC3CCCC3)n2c1
InChIInChI=1S/C17H17BrN4/c18-13-5-6-15-21-16(12-7-9-19-10-8-12)17(22(15)11-13)20-14-3-1-2-4-14/h5-11,14,20H,1-4H2
InChIKeyXQNHYPUYQMUDMS-UHFFFAOYSA-N
XLogP4.51
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine (CID 1154355) is 6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine is Brc1ccc2nc(-c3ccncc3)c(NC3CCCC3)n2c1.
What is the InChIKey of 6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is XQNHYPUYQMUDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4/c18-13-5-6-15-21-16(12-7-9-19-10-8-12)17(22(15)11-13)20-14-3-1-2-4-14/h5-11,14,20H,1-4H2.
What are the key properties of 6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine?
6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 357.25 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclopentyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 1154355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).