1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine

C14H12F2N4 — CID 58459169

IUPAC1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
SMILESCC(N)c1nc2ncccc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H12F2N4/c1-8(17)14-19-13-12(3-2-4-18-13)20(14)11-6-9(15)5-10(16)7-11/h2-8H,17H2,1H3
InChIKeyGTCNRSPIUDYWON-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.72
Rot. Bonds2

About 1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine

1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine (PubChem CID 58459169) has the molecular formula C14H12F2N4 and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
PubChem CID58459169
Molecular FormulaC14H12F2N4
Molecular Weight274.27 g/mol
Exact Mass274.10
IUPAC Name1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
SMILESCC(N)c1nc2ncccc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H12F2N4/c1-8(17)14-19-13-12(3-2-4-18-13)20(14)11-6-9(15)5-10(16)7-11/h2-8H,17H2,1H3
InChIKeyGTCNRSPIUDYWON-UHFFFAOYSA-N
XLogP2.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
CID 58863137
2-[(1S)-1-aminoethyl]-8-chloro-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90235637
2-[(1S)-1-aminoethyl]-3-(3,5-difluorophenyl)-8-iodoquinazolin-4-one
CID 90235932
2-[(1S)-1-aminoethyl]-3-(3,5-difluorophenyl)-8-fluoro-5-methylquinazolin-4-one
CID 90234981
N-[1-(1-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 70922803
2-(1-aminoethyl)-3-(3,5-difluorophenyl)-5-(trifluoromethyl)quinazolin-4-one
CID 90233051
2-[(1S)-1-aminoethyl]-3-(3,5-difluorophenyl)-5-methylsulfonylquinazolin-4-one
CID 90235143
2-[(1S)-1-aminoethyl]-3-(3,5-difluorophenyl)-4-oxoquinazoline-5-carbonitrile
CID 90235732
1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine
CID 78166390
4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine
CID 67461796
1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine
CID 77456368
4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459371

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
The IUPAC name of 1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine (CID 58459169) is 1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine is CC(N)c1nc2ncccc2n1-c1cc(F)cc(F)c1.
What is the InChIKey of 1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
The InChIKey is GTCNRSPIUDYWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4/c1-8(17)14-19-13-12(3-2-4-18-13)20(14)11-6-9(15)5-10(16)7-11/h2-8H,17H2,1H3.
What are the key properties of 1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine has a molecular weight of 274.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine is sourced from PubChem (CID 58459169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).