[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

C26H25FN4O2 — CID 55503896

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
SMILESCc1cccn2cc(COc3ccccc3C(=O)N3CCN(c4ccc(F)cc4)CC3)nc12
InChIInChI=1S/C26H25FN4O2/c1-19-5-4-12-31-17-21(28-25(19)31)18-33-24-7-3-2-6-23(24)26(32)30-15-13-29(14-16-30)22-10-8-20(27)9-11-22/h2-12,17H,13-16,18H2,1H3
InChIKeyLEWDKXALYFOSBI-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.32
Rot. Bonds5

About [4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone (PubChem CID 55503896) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
PubChem CID55503896
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
SMILESCc1cccn2cc(COc3ccccc3C(=O)N3CCN(c4ccc(F)cc4)CC3)nc12
InChIInChI=1S/C26H25FN4O2/c1-19-5-4-12-31-17-21(28-25(19)31)18-33-24-7-3-2-6-23(24)26(32)30-15-13-29(14-16-30)22-10-8-20(27)9-11-22/h2-12,17H,13-16,18H2,1H3
InChIKeyLEWDKXALYFOSBI-UHFFFAOYSA-N
XLogP4.32
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone (CID 55503896) is [4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone is Cc1cccn2cc(COc3ccccc3C(=O)N3CCN(c4ccc(F)cc4)CC3)nc12.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The InChIKey is LEWDKXALYFOSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-19-5-4-12-31-17-21(28-25(19)31)18-33-24-7-3-2-6-23(24)26(32)30-15-13-29(14-16-30)22-10-8-20(27)9-11-22/h2-12,17H,13-16,18H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone has a molecular weight of 444.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 55503896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).