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

C19H19FN4O — CID 90571771

IUPAC(4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C19H19FN4O/c20-16-6-4-15(5-7-16)19(25)23-11-9-22(10-12-23)14-17-13-21-18-3-1-2-8-24(17)18/h1-8,13H,9-12,14H2
InChIKeyKORSHDSNBZSCIX-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.43
Rot. Bonds3

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

(4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 90571771) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID90571771
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C19H19FN4O/c20-16-6-4-15(5-7-16)19(25)23-11-9-22(10-12-23)14-17-13-21-18-3-1-2-8-24(17)18/h1-8,13H,9-12,14H2
InChIKeyKORSHDSNBZSCIX-UHFFFAOYSA-N
XLogP2.43
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 90571771) is (4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(Cc2cnc3ccccn23)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is KORSHDSNBZSCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-16-6-4-15(5-7-16)19(25)23-11-9-22(10-12-23)14-17-13-21-18-3-1-2-8-24(17)18/h1-8,13H,9-12,14H2.
What are the key properties of (4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 338.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90571771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).