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

C22H25N5O3 — CID 155545041

IUPAC1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NCCOC)c2c1
InChIInChI=1S/C22H25N5O3/c1-4-10-30-16-5-8-26-18(15(2)28)13-17(19(26)12-16)21-22(24-7-11-29-3)27-9-6-23-14-20(27)25-21/h5-6,8-9,12-14,24H,4,7,10-11H2,1-3H3
InChIKeyJNWRBNRSOVBCJJ-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.70
Rot. Bonds9

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

1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone (PubChem CID 155545041) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
PubChem CID155545041
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NCCOC)c2c1
InChIInChI=1S/C22H25N5O3/c1-4-10-30-16-5-8-26-18(15(2)28)13-17(19(26)12-16)21-22(24-7-11-29-3)27-9-6-23-14-20(27)25-21/h5-6,8-9,12-14,24H,4,7,10-11H2,1-3H3
InChIKeyJNWRBNRSOVBCJJ-UHFFFAOYSA-N
XLogP3.70
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone (CID 155545041) is 1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone is CCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NCCOC)c2c1.
What is the InChIKey of 1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The InChIKey is JNWRBNRSOVBCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-4-10-30-16-5-8-26-18(15(2)28)13-17(19(26)12-16)21-22(24-7-11-29-3)27-9-6-23-14-20(27)25-21/h5-6,8-9,12-14,24H,4,7,10-11H2,1-3H3.
What are the key properties of 1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone has a molecular weight of 407.47 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone is sourced from PubChem (CID 155545041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).