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

C21H28N4O — CID 46080938

IUPAC(4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCCN1CCN(C(=O)c2cn3c(n2)CCC(c2ccccc2C)C3)CC1
InChIInChI=1S/C21H28N4O/c1-3-23-10-12-24(13-11-23)21(26)19-15-25-14-17(8-9-20(25)22-19)18-7-5-4-6-16(18)2/h4-7,15,17H,3,8-14H2,1-2H3
InChIKeyFSLDNGONOANANL-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.70
Rot. Bonds3

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

(4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 46080938) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID46080938
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCCN1CCN(C(=O)c2cn3c(n2)CCC(c2ccccc2C)C3)CC1
InChIInChI=1S/C21H28N4O/c1-3-23-10-12-24(13-11-23)21(26)19-15-25-14-17(8-9-20(25)22-19)18-7-5-4-6-16(18)2/h4-7,15,17H,3,8-14H2,1-2H3
InChIKeyFSLDNGONOANANL-UHFFFAOYSA-N
XLogP2.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.70
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)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone (CID 46080938) is (4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone is CCN1CCN(C(=O)c2cn3c(n2)CCC(c2ccccc2C)C3)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is FSLDNGONOANANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-23-10-12-24(13-11-23)21(26)19-15-25-14-17(8-9-20(25)22-19)18-7-5-4-6-16(18)2/h4-7,15,17H,3,8-14H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
(4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 352.48 g/mol, XLogP of 2.70, 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)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 46080938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).