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

C23H25N5O — CID 127039447

IUPAC1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]propan-1-one
SMILESCCC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12
InChIInChI=1S/C23H25N5O/c1-3-22(29)21-16-18(19-5-4-6-23-24-8-10-28(19)23)20-15-17(7-9-27(20)21)26-13-11-25(2)12-14-26/h4-10,15-16H,3,11-14H2,1-2H3
InChIKeyRLBNHAVNYHMGDY-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.60
Rot. Bonds4

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

1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]propan-1-one (PubChem CID 127039447) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]propan-1-one
PubChem CID127039447
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]propan-1-one
SMILESCCC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12
InChIInChI=1S/C23H25N5O/c1-3-22(29)21-16-18(19-5-4-6-23-24-8-10-28(19)23)20-15-17(7-9-27(20)21)26-13-11-25(2)12-14-26/h4-10,15-16H,3,11-14H2,1-2H3
InChIKeyRLBNHAVNYHMGDY-UHFFFAOYSA-N
XLogP3.60
TPSA45.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.60
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]propan-1-one?
The IUPAC name of 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]propan-1-one (CID 127039447) is 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]propan-1-one?
The canonical SMILES for 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]propan-1-one is CCC(=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]propan-1-one?
The InChIKey is RLBNHAVNYHMGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-3-22(29)21-16-18(19-5-4-6-23-24-8-10-28(19)23)20-15-17(7-9-27(20)21)26-13-11-25(2)12-14-26/h4-10,15-16H,3,11-14H2,1-2H3.
What are the key properties of 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]propan-1-one?
1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]propan-1-one has a molecular weight of 387.49 g/mol, XLogP of 3.60, 4 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]propan-1-one is sourced from PubChem (CID 127039447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).