5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid

C19H11F4N5O4 — CID 139329683

IUPAC5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid
SMILESCCc1nc2ncc(F)cn2c1C(=O)c1cc(C#N)c(O)c(C#N)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H10FN5O2.C2HF3O2/c1-2-13-14(23-8-12(18)7-21-17(23)22-13)16(25)9-3-10(5-19)15(24)11(4-9)6-20;3-2(4,5)1(6)7/h3-4,7-8,24H,2H2,1H3;(H,6,7)
InChIKeyVPOKXHQSXCAZSH-UHFFFAOYSA-N
MW449.32 g/mol
LogP2.74
Rot. Bonds3

About 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid

5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 139329683) has the molecular formula C19H11F4N5O4 and a molecular weight of 449.32 g/mol. Its IUPAC name is 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid
PubChem CID139329683
Molecular FormulaC19H11F4N5O4
Molecular Weight449.32 g/mol
Exact Mass449.07
IUPAC Name5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid
SMILESCCc1nc2ncc(F)cn2c1C(=O)c1cc(C#N)c(O)c(C#N)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H10FN5O2.C2HF3O2/c1-2-13-14(23-8-12(18)7-21-17(23)22-13)16(25)9-3-10(5-19)15(24)11(4-9)6-20;3-2(4,5)1(6)7/h3-4,7-8,24H,2H2,1H3;(H,6,7)
InChIKeyVPOKXHQSXCAZSH-UHFFFAOYSA-N
XLogP2.74
TPSA152.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

Xininurad
CID 139329673
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone
CID 455752
5-(2-Ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile
CID 126687479
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
CID 126687541
(2-Ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxyphenyl)methanone
CID 126687618
(2-Ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone
CID 126687619
(3,5-Dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 139329672
3-Bromo-5-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl]-2-hydroxybenzonitrile
CID 139329674
[3-Bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)methanone
CID 139329677
5-(2-Ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile
CID 139329684
[2,6-Dicyano-4-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)phenyl] 2,2,2-trifluoroacetate
CID 139329685
[2-Ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone
CID 139329690

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid (CID 139329683) is 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid is CCc1nc2ncc(F)cn2c1C(=O)c1cc(C#N)c(O)c(C#N)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is VPOKXHQSXCAZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN5O2.C2HF3O2/c1-2-13-14(23-8-12(18)7-21-17(23)22-13)16(25)9-3-10(5-19)15(24)11(4-9)6-20;3-2(4,5)1(6)7/h3-4,7-8,24H,2H2,1H3;(H,6,7).
What are the key properties of 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid?
5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 449.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 139329683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).