1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone

C35H33FN4O3 — CID 91634883

IUPAC1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCC(=O)c1ccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(C(=O)COCc5ccccc5)CC4)n3c2)cc1
InChIInChI=1S/C35H33FN4O3/c1-25(41)27-7-9-28(10-8-27)30-13-16-33-37-35(29-11-14-31(36)15-12-29)32(40(33)21-30)22-38-17-19-39(20-18-38)34(42)24-43-23-26-5-3-2-4-6-26/h2-16,21H,17-20,22-24H2,1H3
InChIKeyYAXOZAMKTLZIJH-UHFFFAOYSA-N
MW576.67 g/mol
LogP5.87
Rot. Bonds9

About 1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone

1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 91634883) has the molecular formula C35H33FN4O3 and a molecular weight of 576.67 g/mol. Its IUPAC name is 1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID91634883
Molecular FormulaC35H33FN4O3
Molecular Weight576.67 g/mol
Exact Mass576.25
IUPAC Name1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCC(=O)c1ccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(C(=O)COCc5ccccc5)CC4)n3c2)cc1
InChIInChI=1S/C35H33FN4O3/c1-25(41)27-7-9-28(10-8-27)30-13-16-33-37-35(29-11-14-31(36)15-12-29)32(40(33)21-30)22-38-17-19-39(20-18-38)34(42)24-43-23-26-5-3-2-4-6-26/h2-16,21H,17-20,22-24H2,1H3
InChIKeyYAXOZAMKTLZIJH-UHFFFAOYSA-N
XLogP5.87
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.67
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 83272337
1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 83278381
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-[[6-(2,5-dimethylphenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 83276183
1-[4-[[2-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 83279176
1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 42803311
2-(4-fluorophenyl)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 83278393
[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 83282490
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
1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 42879636
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-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone (CID 91634883) is 1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone is CC(=O)c1ccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(C(=O)COCc5ccccc5)CC4)n3c2)cc1.
What is the InChIKey of 1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is YAXOZAMKTLZIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN4O3/c1-25(41)27-7-9-28(10-8-27)30-13-16-33-37-35(29-11-14-31(36)15-12-29)32(40(33)21-30)22-38-17-19-39(20-18-38)34(42)24-43-23-26-5-3-2-4-6-26/h2-16,21H,17-20,22-24H2,1H3.
What are the key properties of 1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 576.67 g/mol, XLogP of 5.87, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 91634883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).