1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one

C23H28N4O — CID 4695381

IUPAC1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
SMILESCCN1CCN(C(=O)CC(c2ccccc2)c2cnc3c(C)cccn23)CC1
InChIInChI=1S/C23H28N4O/c1-3-25-12-14-26(15-13-25)22(28)16-20(19-9-5-4-6-10-19)21-17-24-23-18(2)8-7-11-27(21)23/h4-11,17,20H,3,12-16H2,1-2H3
InChIKeyNZGFHGQIDDBHDO-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.33
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one

1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one (PubChem CID 4695381) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
PubChem CID4695381
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
SMILESCCN1CCN(C(=O)CC(c2ccccc2)c2cnc3c(C)cccn23)CC1
InChIInChI=1S/C23H28N4O/c1-3-25-12-14-26(15-13-25)22(28)16-20(19-9-5-4-6-10-19)21-17-24-23-18(2)8-7-11-27(21)23/h4-11,17,20H,3,12-16H2,1-2H3
InChIKeyNZGFHGQIDDBHDO-UHFFFAOYSA-N
XLogP3.33
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one (CID 4695381) is 1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one is CCN1CCN(C(=O)CC(c2ccccc2)c2cnc3c(C)cccn23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
The InChIKey is NZGFHGQIDDBHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-25-12-14-26(15-13-25)22(28)16-20(19-9-5-4-6-10-19)21-17-24-23-18(2)8-7-11-27(21)23/h4-11,17,20H,3,12-16H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one has a molecular weight of 376.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 4695381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).