3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine

C19H15BrN4 — CID 10407334

IUPAC3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine
SMILESBrc1cnc2c(NCc3ccncc3)cc(-c3ccccc3)cn12
InChIInChI=1S/C19H15BrN4/c20-18-12-23-19-17(22-11-14-6-8-21-9-7-14)10-16(13-24(18)19)15-4-2-1-3-5-15/h1-10,12-13,22H,11H2
InChIKeyCKLNGSHIFYTZHP-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.77
Rot. Bonds4

About 3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine

3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 10407334) has the molecular formula C19H15BrN4 and a molecular weight of 379.26 g/mol. Its IUPAC name is 3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID10407334
Molecular FormulaC19H15BrN4
Molecular Weight379.26 g/mol
Exact Mass378.05
IUPAC Name3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine
SMILESBrc1cnc2c(NCc3ccncc3)cc(-c3ccccc3)cn12
InChIInChI=1S/C19H15BrN4/c20-18-12-23-19-17(22-11-14-6-8-21-9-7-14)10-16(13-24(18)19)15-4-2-1-3-5-15/h1-10,12-13,22H,11H2
InChIKeyCKLNGSHIFYTZHP-UHFFFAOYSA-N
XLogP4.77
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine (CID 10407334) is 3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine is Brc1cnc2c(NCc3ccncc3)cc(-c3ccccc3)cn12.
What is the InChIKey of 3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is CKLNGSHIFYTZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4/c20-18-12-23-19-17(22-11-14-6-8-21-9-7-14)10-16(13-24(18)19)15-4-2-1-3-5-15/h1-10,12-13,22H,11H2.
What are the key properties of 3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine?
3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 379.26 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 10407334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).