8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C24H16F3N3O3 — CID 146404010

IUPAC8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3c(F)cccc3F)n2)c1F
InChIInChI=1S/C24H16F3N3O3/c25-16-6-2-7-17(26)15(16)11-18-23-29-19(10-13-4-3-9-33-13)24(32)30(23)12-20(28-18)14-5-1-8-21(31)22(14)27/h1-9,12,31-32H,10-11H2
InChIKeyJVAKOCCKCAKNSK-UHFFFAOYSA-N
MW451.40 g/mol
LogP5.00
Rot. Bonds5

About 8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146404010) has the molecular formula C24H16F3N3O3 and a molecular weight of 451.40 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID146404010
Molecular FormulaC24H16F3N3O3
Molecular Weight451.40 g/mol
Exact Mass451.11
IUPAC Name8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3c(F)cccc3F)n2)c1F
InChIInChI=1S/C24H16F3N3O3/c25-16-6-2-7-17(26)15(16)11-18-23-29-19(10-13-4-3-9-33-13)24(32)30(23)12-20(28-18)14-5-1-8-21(31)22(14)27/h1-9,12,31-32H,10-11H2
InChIKeyJVAKOCCKCAKNSK-UHFFFAOYSA-N
XLogP5.00
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[6-[(5-Fluoro-3-methyl-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 46908818
3-[[6-[(3-Fluoro-5-methyl-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 46908904
3-({6-[(6-Methoxypyridin-3-yl)oxy]-1-methyl-1H-benzimidazol-2-yl}methoxy)benzoic acid
CID 46909009
3-[[5-(3-Fluoro-4-methylphenoxy)-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid
CID 68661925
4-{3-[(Furan-2-ylmethyl)-amino]-imidazo[1,2-a]pyridin-2-yl}-phenol
CID 858019
N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 46943153
N-[2-ethyl-8-[2-(4-fluorophenyl)-2-oxoethoxy]imidazo[1,2-a]pyridin-3-yl]-N-methyl-2-phenoxyacetamide
CID 49786482
N-[8-(cyclohexylmethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 49791079
3-Benzyl-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridine
CID 51359014
3-[(3-Fluorophenyl)methyl]-2-(2-furanyl)imidazo[2,1-a]isoquinoline
CID 51359072
2-Fluoro-5-[7-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
CID 118733892
7-(Furan-2-yl)-3-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 118733894

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 146404010) is 8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Oc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3c(F)cccc3F)n2)c1F.
What is the InChIKey of 8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is JVAKOCCKCAKNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O3/c25-16-6-2-7-17(26)15(16)11-18-23-29-19(10-13-4-3-9-33-13)24(32)30(23)12-20(28-18)14-5-1-8-21(31)22(14)27/h1-9,12,31-32H,10-11H2.
What are the key properties of 8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 451.40 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methyl]-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146404010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).