1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone

C20H14FN3O2 — CID 162643694

IUPAC1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1F
InChIInChI=1S/C20H14FN3O2/c1-12(25)15-3-2-4-16(20(15)21)17-11-24-18(9-23-19(24)10-22-17)13-5-7-14(26)8-6-13/h2-11,26H,1H3
InChIKeyYFNPCDBTAACTAL-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.11
Rot. Bonds3

About 1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone

1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone (PubChem CID 162643694) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone
PubChem CID162643694
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1F
InChIInChI=1S/C20H14FN3O2/c1-12(25)15-3-2-4-16(20(15)21)17-11-24-18(9-23-19(24)10-22-17)13-5-7-14(26)8-6-13/h2-11,26H,1H3
InChIKeyYFNPCDBTAACTAL-UHFFFAOYSA-N
XLogP4.11
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 20
CID 5330621
4-Imidazo[1,2-a]pyridin-2-yl-phenol
CID 16682232
4-[[5-(4-Fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
CID 11347754
N-[3-(3-acetylphenyl)-6-[2-methoxy-phenyl)imidazo [1,2-a]pyridin-8-yl]acetamide
CID 49789743
4-[3-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenol
CID 117769710
3-[3-(3-Hydroxyphenyl) imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 135316147
US9908886, Example 2
CID 136273088
(4-(3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 136623815
US10513523, Example 83
CID 137053640
3-[3-(4-hydroxyphenyl) imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethyl-benzamide
CID 137120130

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone (CID 162643694) is 1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1F.
What is the InChIKey of 1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
The InChIKey is YFNPCDBTAACTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-12(25)15-3-2-4-16(20(15)21)17-11-24-18(9-23-19(24)10-22-17)13-5-7-14(26)8-6-13/h2-11,26H,1H3.
What are the key properties of 1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone has a molecular weight of 347.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone is sourced from PubChem (CID 162643694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).