1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone

C27H26N4O3 — CID 155525920

IUPAC1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccccn4c3Nc3ccc(OC)cc3)c2c1
InChIInChI=1S/C27H26N4O3/c1-4-15-34-21-12-14-30-23(18(2)32)17-22(24(30)16-21)26-27(31-13-6-5-7-25(31)29-26)28-19-8-10-20(33-3)11-9-19/h5-14,16-17,28H,4,15H2,1-3H3
InChIKeyHUZSEXWRIPKDHE-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.00
Rot. Bonds8

About 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone

1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone (PubChem CID 155525920) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
PubChem CID155525920
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccccn4c3Nc3ccc(OC)cc3)c2c1
InChIInChI=1S/C27H26N4O3/c1-4-15-34-21-12-14-30-23(18(2)32)17-22(24(30)16-21)26-27(31-13-6-5-7-25(31)29-26)28-19-8-10-20(33-3)11-9-19/h5-14,16-17,28H,4,15H2,1-3H3
InChIKeyHUZSEXWRIPKDHE-UHFFFAOYSA-N
XLogP6.00
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone (CID 155525920) is 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone is CCCOc1ccn2c(C(C)=O)cc(-c3nc4ccccn4c3Nc3ccc(OC)cc3)c2c1.
What is the InChIKey of 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The InChIKey is HUZSEXWRIPKDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-4-15-34-21-12-14-30-23(18(2)32)17-22(24(30)16-21)26-27(31-13-6-5-7-25(31)29-26)28-19-8-10-20(33-3)11-9-19/h5-14,16-17,28H,4,15H2,1-3H3.
What are the key properties of 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone has a molecular weight of 454.53 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone is sourced from PubChem (CID 155525920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).