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

C25H30N6O3 — CID 155530428

IUPAC1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NCCN3CCOCC3)c2c1
InChIInChI=1S/C25H30N6O3/c1-3-12-34-19-4-7-30-21(18(2)32)16-20(22(30)15-19)24-25(31-9-5-26-17-23(31)28-24)27-6-8-29-10-13-33-14-11-29/h4-5,7,9,15-17,27H,3,6,8,10-14H2,1-2H3
InChIKeyYQMZSXGCBIGFMU-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.38
Rot. Bonds9

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

1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone (PubChem CID 155530428) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
PubChem CID155530428
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NCCN3CCOCC3)c2c1
InChIInChI=1S/C25H30N6O3/c1-3-12-34-19-4-7-30-21(18(2)32)16-20(22(30)15-19)24-25(31-9-5-26-17-23(31)28-24)27-6-8-29-10-13-33-14-11-29/h4-5,7,9,15-17,27H,3,6,8,10-14H2,1-2H3
InChIKeyYQMZSXGCBIGFMU-UHFFFAOYSA-N
XLogP3.38
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone (CID 155530428) is 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone is CCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NCCN3CCOCC3)c2c1.
What is the InChIKey of 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The InChIKey is YQMZSXGCBIGFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-3-12-34-19-4-7-30-21(18(2)32)16-20(22(30)15-19)24-25(31-9-5-26-17-23(31)28-24)27-6-8-29-10-13-33-14-11-29/h4-5,7,9,15-17,27H,3,6,8,10-14H2,1-2H3.
What are the key properties of 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone has a molecular weight of 462.55 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone is sourced from PubChem (CID 155530428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).