3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide

C24H21FN4O3 — CID 46942855

IUPAC3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide
SMILESCC(=O)Nc1cc(-c2cccc(C(=O)NCCO)c2)cn2c(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C24H21FN4O3/c1-15(31)28-21-12-19(17-3-2-4-18(11-17)24(32)26-9-10-30)14-29-22(13-27-23(21)29)16-5-7-20(25)8-6-16/h2-8,11-14,30H,9-10H2,1H3,(H,26,32)(H,28,31)
InChIKeyVJXMQLRYELKODQ-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.49
Rot. Bonds6

About 3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide

3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide (PubChem CID 46942855) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide
PubChem CID46942855
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide
SMILESCC(=O)Nc1cc(-c2cccc(C(=O)NCCO)c2)cn2c(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C24H21FN4O3/c1-15(31)28-21-12-19(17-3-2-4-18(11-17)24(32)26-9-10-30)14-29-22(13-27-23(21)29)16-5-7-20(25)8-6-16/h2-8,11-14,30H,9-10H2,1H3,(H,26,32)(H,28,31)
InChIKeyVJXMQLRYELKODQ-UHFFFAOYSA-N
XLogP3.49
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide (CID 46942855) is 3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide is CC(=O)Nc1cc(-c2cccc(C(=O)NCCO)c2)cn2c(-c3ccc(F)cc3)cnc12.
What is the InChIKey of 3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is VJXMQLRYELKODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-15(31)28-21-12-19(17-3-2-4-18(11-17)24(32)26-9-10-30)14-29-22(13-27-23(21)29)16-5-7-20(25)8-6-16/h2-8,11-14,30H,9-10H2,1H3,(H,26,32)(H,28,31).
What are the key properties of 3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide?
3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 432.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 46942855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).