1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone

C22H23N5O — CID 127038801

IUPAC1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12
InChIInChI=1S/C22H23N5O/c1-16(28)20-15-18(19-4-3-5-22-23-7-9-27(19)22)21-14-17(6-8-26(20)21)25-12-10-24(2)11-13-25/h3-9,14-15H,10-13H2,1-2H3
InChIKeyFBKQUMOBOXTGGV-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.21
Rot. Bonds3

About 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone

1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone (PubChem CID 127038801) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone
PubChem CID127038801
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12
InChIInChI=1S/C22H23N5O/c1-16(28)20-15-18(19-4-3-5-22-23-7-9-27(19)22)21-14-17(6-8-26(20)21)25-12-10-24(2)11-13-25/h3-9,14-15H,10-13H2,1-2H3
InChIKeyFBKQUMOBOXTGGV-UHFFFAOYSA-N
XLogP3.21
TPSA45.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone?
The IUPAC name of 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone (CID 127038801) is 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone is CC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12.
What is the InChIKey of 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone?
The InChIKey is FBKQUMOBOXTGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16(28)20-15-18(19-4-3-5-22-23-7-9-27(19)22)21-14-17(6-8-26(20)21)25-12-10-24(2)11-13-25/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone?
1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone has a molecular weight of 373.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]ethanone is sourced from PubChem (CID 127038801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).