5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid

C15H18N4O5 — CID 71742363

IUPAC5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid
SMILESCN1CCN(c2cccc3nc(C=O)cn23)CC1.O=C(O)C(=O)O
InChIInChI=1S/C13H16N4O.C2H2O4/c1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13;3-1(4)2(5)6/h2-4,9-10H,5-8H2,1H3;(H,3,4)(H,5,6)
InChIKeyMTBSEECTLGDCCI-UHFFFAOYSA-N
MW334.33 g/mol
LogP0.05
Rot. Bonds2

About 5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid

5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid (PubChem CID 71742363) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid
PubChem CID71742363
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid
SMILESCN1CCN(c2cccc3nc(C=O)cn23)CC1.O=C(O)C(=O)O
InChIInChI=1S/C13H16N4O.C2H2O4/c1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13;3-1(4)2(5)6/h2-4,9-10H,5-8H2,1H3;(H,3,4)(H,5,6)
InChIKeyMTBSEECTLGDCCI-UHFFFAOYSA-N
XLogP0.05
TPSA115.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid?
The IUPAC name of 5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid (CID 71742363) is 5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid is CN1CCN(c2cccc3nc(C=O)cn23)CC1.O=C(O)C(=O)O.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid?
The InChIKey is MTBSEECTLGDCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.C2H2O4/c1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13;3-1(4)2(5)6/h2-4,9-10H,5-8H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid?
5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid has a molecular weight of 334.33 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid is sourced from PubChem (CID 71742363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).