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

C17H10FN5O2 — CID 139329684

IUPAC5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile
SMILESCCc1nc2ncc(F)cn2c1C(=O)c1cc(C#N)c(O)c(C#N)c1
InChIInChI=1S/C17H10FN5O2/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/h3-4,7-8,24H,2H2,1H3
InChIKeyLMRYHOZLGDBKEO-UHFFFAOYSA-N
MW335.30 g/mol
LogP2.11
Rot. Bonds3

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

5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile (PubChem CID 139329684) has the molecular formula C17H10FN5O2 and a molecular weight of 335.30 g/mol. Its IUPAC name is 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile
PubChem CID139329684
Molecular FormulaC17H10FN5O2
Molecular Weight335.30 g/mol
Exact Mass335.08
IUPAC Name5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile
SMILESCCc1nc2ncc(F)cn2c1C(=O)c1cc(C#N)c(O)c(C#N)c1
InChIInChI=1S/C17H10FN5O2/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/h3-4,7-8,24H,2H2,1H3
InChIKeyLMRYHOZLGDBKEO-UHFFFAOYSA-N
XLogP2.11
TPSA115.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Lingdolinurad
CID 126687506
Xininurad
CID 139329673
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone
CID 455752
(2-Hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
CID 4692639
Imidazo[1,2-a]pyrimidin-3-yl(4-methoxyphenyl)methanone
CID 7150861
6-(5-Fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile
CID 135032505
6-(5-Fluoro-2-hydroxybenzoyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 135032508
(2-Hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
CID 162414781
1-(4-Hydroxyphenyl)-2-imidazo[1,2-a]pyridin-3-ylethane-1,2-dione
CID 134956705
2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553291
2-(5-fluoro-2-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553718
5-(2-Ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile
CID 126687479

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?
The IUPAC name of 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile (CID 139329684) is 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile is CCc1nc2ncc(F)cn2c1C(=O)c1cc(C#N)c(O)c(C#N)c1.
What is the InChIKey of 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile?
The InChIKey is LMRYHOZLGDBKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN5O2/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/h3-4,7-8,24H,2H2,1H3.
What are the key properties of 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile?
5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzene-1,3-dicarbonitrile has a molecular weight of 335.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 139329684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).