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

C30H24ClF3N4O2 — CID 83279060

IUPAC[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1
InChIInChI=1S/C30H24ClF3N4O2/c31-24-9-6-20(7-10-24)28-25(19-36-12-14-37(15-13-36)29(39)26-5-2-16-40-26)38-18-22(8-11-27(38)35-28)21-3-1-4-23(17-21)30(32,33)34/h1-11,16-18H,12-15,19H2
InChIKeyYPUVOWDZSAGJKZ-UHFFFAOYSA-N
MW565.00 g/mol
LogP6.89
Rot. Bonds5

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

[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 83279060) has the molecular formula C30H24ClF3N4O2 and a molecular weight of 565.00 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID83279060
Molecular FormulaC30H24ClF3N4O2
Molecular Weight565.00 g/mol
Exact Mass564.15
IUPAC Name[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1
InChIInChI=1S/C30H24ClF3N4O2/c31-24-9-6-20(7-10-24)28-25(19-36-12-14-37(15-13-36)29(39)26-5-2-16-40-26)38-18-22(8-11-27(38)35-28)21-3-1-4-23(17-21)30(32,33)34/h1-11,16-18H,12-15,19H2
InChIKeyYPUVOWDZSAGJKZ-UHFFFAOYSA-N
XLogP6.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.00
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 83279060) is [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is YPUVOWDZSAGJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClF3N4O2/c31-24-9-6-20(7-10-24)28-25(19-36-12-14-37(15-13-36)29(39)26-5-2-16-40-26)38-18-22(8-11-27(38)35-28)21-3-1-4-23(17-21)30(32,33)34/h1-11,16-18H,12-15,19H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 565.00 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 83279060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).