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

C25H29FN4O — CID 129216463

IUPACcyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)CC1
InChIInChI=1S/C25H29FN4O/c26-21-11-9-19(10-12-21)24-22(30-13-5-4-8-23(30)27-24)18-28-14-16-29(17-15-28)25(31)20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,14-18H2
InChIKeyVUAPFJAFKYIXCU-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.36
Rot. Bonds4

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

cyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 129216463) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is cyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID129216463
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Namecyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)CC1
InChIInChI=1S/C25H29FN4O/c26-21-11-9-19(10-12-21)24-22(30-13-5-4-8-23(30)27-24)18-28-14-16-29(17-15-28)25(31)20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,14-18H2
InChIKeyVUAPFJAFKYIXCU-UHFFFAOYSA-N
XLogP4.36
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (CID 129216463) is cyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)CC1.
What is the InChIKey of cyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is VUAPFJAFKYIXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c26-21-11-9-19(10-12-21)24-22(30-13-5-4-8-23(30)27-24)18-28-14-16-29(17-15-28)25(31)20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,14-18H2.
What are the key properties of cyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 420.53 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 129216463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).