methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

C16H13F2N3O2 — CID 74763779

IUPACmethyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCOC(=O)CNc1c(-c2cccc(F)c2)nc2ccc(F)cn12
InChIInChI=1S/C16H13F2N3O2/c1-23-14(22)8-19-16-15(10-3-2-4-11(17)7-10)20-13-6-5-12(18)9-21(13)16/h2-7,9,19H,8H2,1H3
InChIKeyXNHDIEBXXZHYPG-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 74763779) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID74763779
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Namemethyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCOC(=O)CNc1c(-c2cccc(F)c2)nc2ccc(F)cn12
InChIInChI=1S/C16H13F2N3O2/c1-23-14(22)8-19-16-15(10-3-2-4-11(17)7-10)20-13-6-5-12(18)9-21(13)16/h2-7,9,19H,8H2,1H3
InChIKeyXNHDIEBXXZHYPG-UHFFFAOYSA-N
XLogP2.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pumaprazole
CID 3052764
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
2-Phenylimidazo(1,2-a)pyridin-3-amine
CID 199307
2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
2-{[3-(2-Aminopyrimidin-4-yl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-7-ylmethyl]methylamino}ethanol
CID 24887880
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}formamide
CID 44444870
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}carbamic acid methyl ester
CID 44444872
3-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
CID 164536581
2-(4-Fluorophenyl)-8-methylimidazo[1,2-a]pyridine
CID 805501

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (CID 74763779) is methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is COC(=O)CNc1c(-c2cccc(F)c2)nc2ccc(F)cn12.
What is the InChIKey of methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is XNHDIEBXXZHYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-23-14(22)8-19-16-15(10-3-2-4-11(17)7-10)20-13-6-5-12(18)9-21(13)16/h2-7,9,19H,8H2,1H3.
What are the key properties of methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 317.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-fluoro-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 74763779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).