[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone

C31H27FN4O — CID 83290300

IUPAC[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C31H27FN4O/c32-27-14-11-25(12-15-27)31(37)35-19-17-34(18-20-35)22-28-30(24-9-5-2-6-10-24)33-29-16-13-26(21-36(28)29)23-7-3-1-4-8-23/h1-16,21H,17-20,22H2
InChIKeyOSZDBCJZQVMWHV-UHFFFAOYSA-N
MW490.58 g/mol
LogP5.77
Rot. Bonds5

About [4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone

[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 83290300) has the molecular formula C31H27FN4O and a molecular weight of 490.58 g/mol. Its IUPAC name is [4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID83290300
Molecular FormulaC31H27FN4O
Molecular Weight490.58 g/mol
Exact Mass490.22
IUPAC Name[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C31H27FN4O/c32-27-14-11-25(12-15-27)31(37)35-19-17-34(18-20-35)22-28-30(24-9-5-2-6-10-24)33-29-16-13-26(21-36(28)29)23-7-3-1-4-8-23/h1-16,21H,17-20,22H2
InChIKeyOSZDBCJZQVMWHV-UHFFFAOYSA-N
XLogP5.77
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 83282490
1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 83272337
4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 121309937
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
CID 121309759
(3-fluorophenyl)-[4-[[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83279212
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83290005
1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 91634883
(4-methylphenyl)-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83288876
[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83279108
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682
[4-[[2-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83279111

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone (CID 83290300) is [4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4ccccc4)cn23)CC1.
What is the InChIKey of [4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is OSZDBCJZQVMWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN4O/c32-27-14-11-25(12-15-27)31(37)35-19-17-34(18-20-35)22-28-30(24-9-5-2-6-10-24)33-29-16-13-26(21-36(28)29)23-7-3-1-4-8-23/h1-16,21H,17-20,22H2.
What are the key properties of [4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 490.58 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 83290300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).