(2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

C25H21Cl2FN4O — CID 129225856

IUPAC(2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1Cl)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C25H21Cl2FN4O/c26-18-6-4-17(5-7-18)24-22(32-10-2-1-3-23(32)29-24)16-30-11-13-31(14-12-30)25(33)20-15-19(28)8-9-21(20)27/h1-10,15H,11-14,16H2
InChIKeyGUTFWFIKSYCSDC-UHFFFAOYSA-N
MW483.37 g/mol
LogP5.41
Rot. Bonds4

About (2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

(2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 129225856) has the molecular formula C25H21Cl2FN4O and a molecular weight of 483.37 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID129225856
Molecular FormulaC25H21Cl2FN4O
Molecular Weight483.37 g/mol
Exact Mass482.11
IUPAC Name(2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1Cl)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C25H21Cl2FN4O/c26-18-6-4-17(5-7-18)24-22(32-10-2-1-3-23(32)29-24)16-30-11-13-31(14-12-30)25(33)20-15-19(28)8-9-21(20)27/h1-10,15H,11-14,16H2
InChIKeyGUTFWFIKSYCSDC-UHFFFAOYSA-N
XLogP5.41
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.37
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (CID 129225856) is (2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is O=C(c1cc(F)ccc1Cl)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is GUTFWFIKSYCSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2FN4O/c26-18-6-4-17(5-7-18)24-22(32-10-2-1-3-23(32)29-24)16-30-11-13-31(14-12-30)25(33)20-15-19(28)8-9-21(20)27/h1-10,15H,11-14,16H2.
What are the key properties of (2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
(2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 483.37 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 129225856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).