methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate

C25H28N4O5 — CID 155542812

IUPACmethyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccc(C(=O)OC)cn4c3NCCOC)c2c1
InChIInChI=1S/C25H28N4O5/c1-5-11-34-18-8-10-28-20(16(2)30)14-19(21(28)13-18)23-24(26-9-12-32-3)29-15-17(25(31)33-4)6-7-22(29)27-23/h6-8,10,13-15,26H,5,9,11-12H2,1-4H3
InChIKeyVFVSBYZOZCOHHL-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.09
Rot. Bonds10

About methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 155542812) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID155542812
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Namemethyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccc(C(=O)OC)cn4c3NCCOC)c2c1
InChIInChI=1S/C25H28N4O5/c1-5-11-34-18-8-10-28-20(16(2)30)14-19(21(28)13-18)23-24(26-9-12-32-3)29-15-17(25(31)33-4)6-7-22(29)27-23/h6-8,10,13-15,26H,5,9,11-12H2,1-4H3
InChIKeyVFVSBYZOZCOHHL-UHFFFAOYSA-N
XLogP4.09
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate (CID 155542812) is methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate is CCCOc1ccn2c(C(C)=O)cc(-c3nc4ccc(C(=O)OC)cn4c3NCCOC)c2c1.
What is the InChIKey of methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is VFVSBYZOZCOHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-5-11-34-18-8-10-28-20(16(2)30)14-19(21(28)13-18)23-24(26-9-12-32-3)29-15-17(25(31)33-4)6-7-22(29)27-23/h6-8,10,13-15,26H,5,9,11-12H2,1-4H3.
What are the key properties of methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 464.52 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 155542812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).