ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid

C17H22N4O6 — CID 651683

IUPACethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid
SMILESCCOC(=O)N1CCN(Cc2cn3ccccc3n2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C15H20N4O2.C2H2O4/c1-2-21-15(20)18-9-7-17(8-10-18)11-13-12-19-6-4-3-5-14(19)16-13;3-1(4)2(5)6/h3-6,12H,2,7-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyTVAJABJWUDMRAH-UHFFFAOYSA-N
MW378.39 g/mol
LogP0.76
Rot. Bonds3

About ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid

ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid (PubChem CID 651683) has the molecular formula C17H22N4O6 and a molecular weight of 378.39 g/mol. Its IUPAC name is ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid.

Molecular Properties

Compound Nameethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid
PubChem CID651683
Molecular FormulaC17H22N4O6
Molecular Weight378.39 g/mol
Exact Mass378.15
IUPAC Nameethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid
SMILESCCOC(=O)N1CCN(Cc2cn3ccccc3n2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C15H20N4O2.C2H2O4/c1-2-21-15(20)18-9-7-17(8-10-18)11-13-12-19-6-4-3-5-14(19)16-13;3-1(4)2(5)6/h3-6,12H,2,7-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyTVAJABJWUDMRAH-UHFFFAOYSA-N
XLogP0.76
TPSA124.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid?
The IUPAC name of ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid (CID 651683) is ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid.
What is the SMILES notation for ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid?
The canonical SMILES for ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid is CCOC(=O)N1CCN(Cc2cn3ccccc3n2)CC1.O=C(O)C(=O)O.
What is the InChIKey of ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid?
The InChIKey is TVAJABJWUDMRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.C2H2O4/c1-2-21-15(20)18-9-7-17(8-10-18)11-13-12-19-6-4-3-5-14(19)16-13;3-1(4)2(5)6/h3-6,12H,2,7-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid?
ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid has a molecular weight of 378.39 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxylate;oxalic acid is sourced from PubChem (CID 651683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).