(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

C33H28F4N4O2 — CID 83274694

IUPAC(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(-c4cccc(C(F)(F)F)c4)cn3c2CN2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C33H28F4N4O2/c1-43-26-9-5-7-23(19-26)31-29(21-39-14-16-40(17-15-39)32(42)27-10-2-3-11-28(27)34)41-20-24(12-13-30(41)38-31)22-6-4-8-25(18-22)33(35,36)37/h2-13,18-20H,14-17,21H2,1H3
InChIKeyCFBDEZZMXXSZHL-UHFFFAOYSA-N
MW588.61 g/mol
LogP6.79
Rot. Bonds6

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

(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 83274694) has the molecular formula C33H28F4N4O2 and a molecular weight of 588.61 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID83274694
Molecular FormulaC33H28F4N4O2
Molecular Weight588.61 g/mol
Exact Mass588.21
IUPAC Name(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(-c4cccc(C(F)(F)F)c4)cn3c2CN2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C33H28F4N4O2/c1-43-26-9-5-7-23(19-26)31-29(21-39-14-16-40(17-15-39)32(42)27-10-2-3-11-28(27)34)41-20-24(12-13-30(41)38-31)22-6-4-8-25(18-22)33(35,36)37/h2-13,18-20H,14-17,21H2,1H3
InChIKeyCFBDEZZMXXSZHL-UHFFFAOYSA-N
XLogP6.79
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.61
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83277085
(2-fluorophenyl)-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83290156
[4-[[2-(4-methoxyphenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 83275121
2-methoxy-1-[4-[[2-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 83274417
N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
CID 83279698
1-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286683
2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 83278414
[4-[[2-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83279111
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-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 91635942
[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 83282490
[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83278524

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (CID 83274694) is (2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is COc1cccc(-c2nc3ccc(-c4cccc(C(F)(F)F)c4)cn3c2CN2CCN(C(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of (2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is CFBDEZZMXXSZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F4N4O2/c1-43-26-9-5-7-23(19-26)31-29(21-39-14-16-40(17-15-39)32(42)27-10-2-3-11-28(27)34)41-20-24(12-13-30(41)38-31)22-6-4-8-25(18-22)33(35,36)37/h2-13,18-20H,14-17,21H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 588.61 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 83274694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).