4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

C26H22FN5O — CID 129225896

IUPAC4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccn3c2CN2CCN(C(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C26H22FN5O/c27-22-6-2-1-5-21(22)26(33)31-15-13-30(14-16-31)18-23-25(20-10-8-19(17-28)9-11-20)29-24-7-3-4-12-32(23)24/h1-12H,13-16,18H2
InChIKeySZWSEEPFFOHHGN-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.97
Rot. Bonds4

About 4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (PubChem CID 129225896) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is 4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
PubChem CID129225896
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC Name4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccn3c2CN2CCN(C(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C26H22FN5O/c27-22-6-2-1-5-21(22)26(33)31-15-13-30(14-16-31)18-23-25(20-10-8-19(17-28)9-11-20)29-24-7-3-4-12-32(23)24/h1-12H,13-16,18H2
InChIKeySZWSEEPFFOHHGN-UHFFFAOYSA-N
XLogP3.97
TPSA64.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (CID 129225896) is 4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is N#Cc1ccc(-c2nc3ccccn3c2CN2CCN(C(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of 4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The InChIKey is SZWSEEPFFOHHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O/c27-22-6-2-1-5-21(22)26(33)31-15-13-30(14-16-31)18-23-25(20-10-8-19(17-28)9-11-20)29-24-7-3-4-12-32(23)24/h1-12H,13-16,18H2.
What are the key properties of 4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile has a molecular weight of 439.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 129225896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).