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

C26H25N5O3 — CID 155566278

IUPAC1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3Nc3ccc(OC)cc3)c2c1
InChIInChI=1S/C26H25N5O3/c1-4-13-34-20-9-11-30-22(17(2)32)15-21(23(30)14-20)25-26(31-12-10-27-16-24(31)29-25)28-18-5-7-19(33-3)8-6-18/h5-12,14-16,28H,4,13H2,1-3H3
InChIKeyHNEDAGRJIRTGKN-UHFFFAOYSA-N
MW455.52 g/mol
LogP5.39
Rot. Bonds8

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

1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone (PubChem CID 155566278) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
PubChem CID155566278
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3Nc3ccc(OC)cc3)c2c1
InChIInChI=1S/C26H25N5O3/c1-4-13-34-20-9-11-30-22(17(2)32)15-21(23(30)14-20)25-26(31-12-10-27-16-24(31)29-25)28-18-5-7-19(33-3)8-6-18/h5-12,14-16,28H,4,13H2,1-3H3
InChIKeyHNEDAGRJIRTGKN-UHFFFAOYSA-N
XLogP5.39
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone (CID 155566278) is 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone is CCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3Nc3ccc(OC)cc3)c2c1.
What is the InChIKey of 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The InChIKey is HNEDAGRJIRTGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-4-13-34-20-9-11-30-22(17(2)32)15-21(23(30)14-20)25-26(31-12-10-27-16-24(31)29-25)28-18-5-7-19(33-3)8-6-18/h5-12,14-16,28H,4,13H2,1-3H3.
What are the key properties of 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone has a molecular weight of 455.52 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone is sourced from PubChem (CID 155566278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).