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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Related Compounds

4-(3-bromophenyl)-5-fluoropyrimidin-2-amine
CID 115504031
4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58278215
2-(4-bromo-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617916
3-(3-bromophenyl)-2-(2-methoxyphenyl)imidazo[1,2-a]pyridine
CID 71699468
2-(4-fluorophenyl)-3-[3-(4-fluorophenyl)phenyl]imidazo[1,2-a]pyridine
CID 71699551
(E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 54753008
2-(4-bromophenyl)-3-fluoroimidazo[1,2-a]pyridine
CID 133059378
3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58278225
2-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 10779709
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)aniline
CID 71460237
8-(3-bromophenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;ethane
CID 145073871

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).