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

C18H24N4OS — CID 91924454

IUPAC(4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCCN1CCN(C(=O)C2CCc3ncc(-c4ccsc4)n3C2)CC1
InChIInChI=1S/C18H24N4OS/c1-2-20-6-8-21(9-7-20)18(23)14-3-4-17-19-11-16(22(17)12-14)15-5-10-24-13-15/h5,10-11,13-14H,2-4,6-9,12H2,1H3
InChIKeyUXBLCJWWHCHZIY-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.34
Rot. Bonds3

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

(4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone (PubChem CID 91924454) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
PubChem CID91924454
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCCN1CCN(C(=O)C2CCc3ncc(-c4ccsc4)n3C2)CC1
InChIInChI=1S/C18H24N4OS/c1-2-20-6-8-21(9-7-20)18(23)14-3-4-17-19-11-16(22(17)12-14)15-5-10-24-13-15/h5,10-11,13-14H,2-4,6-9,12H2,1H3
InChIKeyUXBLCJWWHCHZIY-UHFFFAOYSA-N
XLogP2.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone (CID 91924454) is (4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone is CCN1CCN(C(=O)C2CCc3ncc(-c4ccsc4)n3C2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The InChIKey is UXBLCJWWHCHZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-2-20-6-8-21(9-7-20)18(23)14-3-4-17-19-11-16(22(17)12-14)15-5-10-24-13-15/h5,10-11,13-14H,2-4,6-9,12H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
(4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone has a molecular weight of 344.48 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone is sourced from PubChem (CID 91924454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).