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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Related Compounds

CID 70798655
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CID 11716665
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CID 60531
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CID 16099846
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CID 16099861
CID 16099861
CID 9836155
CID 9836155
CID 44401799
CID 44401799
CID 44401938
CID 44401938
CID 73353575
CID 73353575
CID 10269216
CID 10269216
CID 10471957
CID 10471957
CID 44571810
CID 44571810

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).