1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one

C28H28ClFN4O — CID 83279820

IUPAC1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(-c4cccc(Cl)c4)cn23)CC1
InChIInChI=1S/C28H28ClFN4O/c1-19(2)28(35)33-14-12-32(13-15-33)18-25-27(20-6-9-24(30)10-7-20)31-26-11-8-22(17-34(25)26)21-4-3-5-23(29)16-21/h3-11,16-17,19H,12-15,18H2,1-2H3
InChIKeyFMLJYRPZFMVIMN-UHFFFAOYSA-N
MW491.01 g/mol
LogP5.76
Rot. Bonds5

About 1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 83279820) has the molecular formula C28H28ClFN4O and a molecular weight of 491.01 g/mol. Its IUPAC name is 1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID83279820
Molecular FormulaC28H28ClFN4O
Molecular Weight491.01 g/mol
Exact Mass490.19
IUPAC Name1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(-c4cccc(Cl)c4)cn23)CC1
InChIInChI=1S/C28H28ClFN4O/c1-19(2)28(35)33-14-12-32(13-15-33)18-25-27(20-6-9-24(30)10-7-20)31-26-11-8-22(17-34(25)26)21-4-3-5-23(29)16-21/h3-11,16-17,19H,12-15,18H2,1-2H3
InChIKeyFMLJYRPZFMVIMN-UHFFFAOYSA-N
XLogP5.76
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.01
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one (CID 83279820) is 1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(-c4cccc(Cl)c4)cn23)CC1.
What is the InChIKey of 1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is FMLJYRPZFMVIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN4O/c1-19(2)28(35)33-14-12-32(13-15-33)18-25-27(20-6-9-24(30)10-7-20)31-26-11-8-22(17-34(25)26)21-4-3-5-23(29)16-21/h3-11,16-17,19H,12-15,18H2,1-2H3.
What are the key properties of 1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 491.01 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83279820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).