1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate

C20H19BrFN3O2 — CID 7016696

IUPAC1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccc(Br)cn23)CC1
InChIInChI=1S/C20H19BrFN3O2/c21-15-3-6-18-23-19(13-1-4-16(22)5-2-13)17(25(18)11-15)12-24-9-7-14(8-10-24)20(26)27/h1-6,11,14H,7-10,12H2,(H,26,27)
InChIKeyOFUYYLVRZZTOPW-UHFFFAOYSA-N
MW432.29 g/mol
LogP1.45
Rot. Bonds4

About 1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate

1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate (PubChem CID 7016696) has the molecular formula C20H19BrFN3O2 and a molecular weight of 432.29 g/mol. Its IUPAC name is 1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Name1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
PubChem CID7016696
Molecular FormulaC20H19BrFN3O2
Molecular Weight432.29 g/mol
Exact Mass431.06
IUPAC Name1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccc(Br)cn23)CC1
InChIInChI=1S/C20H19BrFN3O2/c21-15-3-6-18-23-19(13-1-4-16(22)5-2-13)17(25(18)11-15)12-24-9-7-14(8-10-24)20(26)27/h1-6,11,14H,7-10,12H2,(H,26,27)
InChIKeyOFUYYLVRZZTOPW-UHFFFAOYSA-N
XLogP1.45
TPSA61.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate with MolForge

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Related Compounds

1-[[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7016718
1-[[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7016683
1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 39148341
1-[(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 40638712
3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67030270
2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7015438
1-[[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7023786
1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 39146514
6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023752
2-(4-bromophenyl)-6-fluoroimidazo[1,2-a]pyridin-3-amine
CID 63617124
3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 39195795
2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 172677002

Frequently Asked Questions

What is the IUPAC name of 1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate?
The IUPAC name of 1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate (CID 7016696) is 1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate.
What is the SMILES notation for 1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate?
The canonical SMILES for 1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate is O=C([O-])C1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccc(Br)cn23)CC1.
What is the InChIKey of 1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate?
The InChIKey is OFUYYLVRZZTOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3O2/c21-15-3-6-18-23-19(13-1-4-16(22)5-2-13)17(25(18)11-15)12-24-9-7-14(8-10-24)20(26)27/h1-6,11,14H,7-10,12H2,(H,26,27).
What are the key properties of 1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate?
1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate has a molecular weight of 432.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 7016696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).