1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone

C33H28F2N4O2 — CID 83272337

IUPAC1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(C(=O)c5cccc(F)c5)CC4)n3c2)cc1
InChIInChI=1S/C33H28F2N4O2/c1-22(40)23-5-7-24(8-6-23)27-11-14-31-36-32(25-9-12-28(34)13-10-25)30(39(31)20-27)21-37-15-17-38(18-16-37)33(41)26-3-2-4-29(35)19-26/h2-14,19-20H,15-18,21H2,1H3
InChIKeyVDSRCEJUNIIFGD-UHFFFAOYSA-N
MW550.61 g/mol
LogP6.11
Rot. Bonds6

About 1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone

1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone (PubChem CID 83272337) has the molecular formula C33H28F2N4O2 and a molecular weight of 550.61 g/mol. Its IUPAC name is 1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
PubChem CID83272337
Molecular FormulaC33H28F2N4O2
Molecular Weight550.61 g/mol
Exact Mass550.22
IUPAC Name1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(C(=O)c5cccc(F)c5)CC4)n3c2)cc1
InChIInChI=1S/C33H28F2N4O2/c1-22(40)23-5-7-24(8-6-23)27-11-14-31-36-32(25-9-12-28(34)13-10-25)30(39(31)20-27)21-37-15-17-38(18-16-37)33(41)26-3-2-4-29(35)19-26/h2-14,19-20H,15-18,21H2,1H3
InChIKeyVDSRCEJUNIIFGD-UHFFFAOYSA-N
XLogP6.11
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.61
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300
(3-fluorophenyl)-[4-[[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83279212
[4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 83276239
1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 91634883
[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 83282490
[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83279108
1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 83272329
[4-[[2-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83279111
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83290005
[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 83285810
1-[4-[[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 83272328
1-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286730

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone (CID 83272337) is 1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(C(=O)c5cccc(F)c5)CC4)n3c2)cc1.
What is the InChIKey of 1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone?
The InChIKey is VDSRCEJUNIIFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F2N4O2/c1-22(40)23-5-7-24(8-6-23)27-11-14-31-36-32(25-9-12-28(34)13-10-25)30(39(31)20-27)21-37-15-17-38(18-16-37)33(41)26-3-2-4-29(35)19-26/h2-14,19-20H,15-18,21H2,1H3.
What are the key properties of 1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone?
1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone has a molecular weight of 550.61 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone is sourced from PubChem (CID 83272337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).