3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one

C19H19FN4O — CID 174290929

IUPAC3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one
SMILESCN1CCN(c2cn3ccccc3n2)C(=O)C1Cc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O/c1-22-10-11-24(18-13-23-9-3-2-4-17(23)21-18)19(25)16(22)12-14-5-7-15(20)8-6-14/h2-9,13,16H,10-12H2,1H3
InChIKeyXFHPXIJQMLFDEM-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.36
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one

3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one (PubChem CID 174290929) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one
PubChem CID174290929
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one
SMILESCN1CCN(c2cn3ccccc3n2)C(=O)C1Cc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O/c1-22-10-11-24(18-13-23-9-3-2-4-17(23)21-18)19(25)16(22)12-14-5-7-15(20)8-6-14/h2-9,13,16H,10-12H2,1H3
InChIKeyXFHPXIJQMLFDEM-UHFFFAOYSA-N
XLogP2.36
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one (CID 174290929) is 3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one is CN1CCN(c2cn3ccccc3n2)C(=O)C1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one?
The InChIKey is XFHPXIJQMLFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-22-10-11-24(18-13-23-9-3-2-4-17(23)21-18)19(25)16(22)12-14-5-7-15(20)8-6-14/h2-9,13,16H,10-12H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one?
3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one has a molecular weight of 338.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one is sourced from PubChem (CID 174290929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).