(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone

C20H25FN4O — CID 91924500

IUPAC(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone
SMILESCCN1CCN(C(=O)C2CCc3ncc(-c4ccc(F)cc4)n3C2)CC1
InChIInChI=1S/C20H25FN4O/c1-2-23-9-11-24(12-10-23)20(26)16-5-8-19-22-13-18(25(19)14-16)15-3-6-17(21)7-4-15/h3-4,6-7,13,16H,2,5,8-12,14H2,1H3
InChIKeyOPOYCHNTMFGIBT-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.42
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone

(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone (PubChem CID 91924500) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone
PubChem CID91924500
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone
SMILESCCN1CCN(C(=O)C2CCc3ncc(-c4ccc(F)cc4)n3C2)CC1
InChIInChI=1S/C20H25FN4O/c1-2-23-9-11-24(12-10-23)20(26)16-5-8-19-22-13-18(25(19)14-16)15-3-6-17(21)7-4-15/h3-4,6-7,13,16H,2,5,8-12,14H2,1H3
InChIKeyOPOYCHNTMFGIBT-UHFFFAOYSA-N
XLogP2.42
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone (CID 91924500) is (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone is CCN1CCN(C(=O)C2CCc3ncc(-c4ccc(F)cc4)n3C2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone?
The InChIKey is OPOYCHNTMFGIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-2-23-9-11-24(12-10-23)20(26)16-5-8-19-22-13-18(25(19)14-16)15-3-6-17(21)7-4-15/h3-4,6-7,13,16H,2,5,8-12,14H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone?
(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone has a molecular weight of 356.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone is sourced from PubChem (CID 91924500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).