4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine

C17H11BrFN5 — CID 91664423

IUPAC4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(-c2c(-c3cccc(Br)c3)nc3ccccn23)n1
InChIInChI=1S/C17H11BrFN5/c18-11-5-3-4-10(8-11)14-16(15-12(19)9-21-17(20)23-15)24-7-2-1-6-13(24)22-14/h1-9H,(H2,20,21,23)
InChIKeyAKFKEMQQLJPUQU-UHFFFAOYSA-N
MW384.21 g/mol
LogP3.94
Rot. Bonds2

About 4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine

4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine (PubChem CID 91664423) has the molecular formula C17H11BrFN5 and a molecular weight of 384.21 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine
PubChem CID91664423
Molecular FormulaC17H11BrFN5
Molecular Weight384.21 g/mol
Exact Mass383.02
IUPAC Name4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(-c2c(-c3cccc(Br)c3)nc3ccccn23)n1
InChIInChI=1S/C17H11BrFN5/c18-11-5-3-4-10(8-11)14-16(15-12(19)9-21-17(20)23-15)24-7-2-1-6-13(24)22-14/h1-9H,(H2,20,21,23)
InChIKeyAKFKEMQQLJPUQU-UHFFFAOYSA-N
XLogP3.94
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine (CID 91664423) is 4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(-c2c(-c3cccc(Br)c3)nc3ccccn23)n1.
What is the InChIKey of 4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine?
The InChIKey is AKFKEMQQLJPUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN5/c18-11-5-3-4-10(8-11)14-16(15-12(19)9-21-17(20)23-15)24-7-2-1-6-13(24)22-14/h1-9H,(H2,20,21,23).
What are the key properties of 4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine?
4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine has a molecular weight of 384.21 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 91664423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).