(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone

C16H11F2IN2O2 — CID 126687619

IUPAC(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone
SMILESCCc1nc2ccc(F)cn2c1C(=O)c1cc(F)c(O)c(I)c1
InChIInChI=1S/C16H11F2IN2O2/c1-2-12-14(21-7-9(17)3-4-13(21)20-12)15(22)8-5-10(18)16(23)11(19)6-8/h3-7,23H,2H2,1H3
InChIKeyDPFGYIKWVQIBBA-UHFFFAOYSA-N
MW428.18 g/mol
LogP3.72
Rot. Bonds3

About (2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone

(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone (PubChem CID 126687619) has the molecular formula C16H11F2IN2O2 and a molecular weight of 428.18 g/mol. Its IUPAC name is (2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone
PubChem CID126687619
Molecular FormulaC16H11F2IN2O2
Molecular Weight428.18 g/mol
Exact Mass427.98
IUPAC Name(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone
SMILESCCc1nc2ccc(F)cn2c1C(=O)c1cc(F)c(O)c(I)c1
InChIInChI=1S/C16H11F2IN2O2/c1-2-12-14(21-7-9(17)3-4-13(21)20-12)15(22)8-5-10(18)16(23)11(19)6-8/h3-7,23H,2H2,1H3
InChIKeyDPFGYIKWVQIBBA-UHFFFAOYSA-N
XLogP3.72
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.18
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 20
CID 5330621
Aminoimidazo[1,2-a]pyridine deriv. 21
CID 5330639
Lingdolinurad
CID 126687506
(E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-propen-1-one
CID 6050117
[4-[3-(Dibutylamino)propoxy]phenyl]-(8-methylimidazo[1,2-a]pyridin-3-yl)methanone;hydrochloride
CID 49860436
4-[3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 145966011
US10513523, Example 149
CID 137053642
Xininurad
CID 139329673
[4-[3-(Dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone;hydrochloride
CID 49860433
[4-[3-(Dibutylamino)propoxy]phenyl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone;hydrochloride
CID 49860437
5-(6-Fluoroimidazo[1,2-a]pyridin-2-yl)-2-hydroxybenzamide
CID 134145427

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone?
The IUPAC name of (2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone (CID 126687619) is (2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone.
What is the SMILES notation for (2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone?
The canonical SMILES for (2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone is CCc1nc2ccc(F)cn2c1C(=O)c1cc(F)c(O)c(I)c1.
What is the InChIKey of (2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone?
The InChIKey is DPFGYIKWVQIBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2IN2O2/c1-2-12-14(21-7-9(17)3-4-13(21)20-12)15(22)8-5-10(18)16(23)11(19)6-8/h3-7,23H,2H2,1H3.
What are the key properties of (2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone?
(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone has a molecular weight of 428.18 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone is sourced from PubChem (CID 126687619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).