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

C25H29N5O2 — CID 155514810

IUPAC1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NC3CCCCC3)c2c1
InChIInChI=1S/C25H29N5O2/c1-3-13-32-19-9-11-29-21(17(2)31)15-20(22(29)14-19)24-25(27-18-7-5-4-6-8-18)30-12-10-26-16-23(30)28-24/h9-12,14-16,18,27H,3-8,13H2,1-2H3
InChIKeyFPYQKKHWZICZME-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.39
Rot. Bonds7

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

1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone (PubChem CID 155514810) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
PubChem CID155514810
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NC3CCCCC3)c2c1
InChIInChI=1S/C25H29N5O2/c1-3-13-32-19-9-11-29-21(17(2)31)15-20(22(29)14-19)24-25(27-18-7-5-4-6-8-18)30-12-10-26-16-23(30)28-24/h9-12,14-16,18,27H,3-8,13H2,1-2H3
InChIKeyFPYQKKHWZICZME-UHFFFAOYSA-N
XLogP5.39
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone (CID 155514810) is 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone is CCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NC3CCCCC3)c2c1.
What is the InChIKey of 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The InChIKey is FPYQKKHWZICZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-3-13-32-19-9-11-29-21(17(2)31)15-20(22(29)14-19)24-25(27-18-7-5-4-6-8-18)30-12-10-26-16-23(30)28-24/h9-12,14-16,18,27H,3-8,13H2,1-2H3.
What are the key properties of 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone has a molecular weight of 431.54 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone is sourced from PubChem (CID 155514810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).