5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde

C20H13N5O2 — CID 137393740

IUPAC5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde
SMILESNc1nc(-c2ccc(C=O)o2)c(-c2ccc3ncccc3c2)n2ccnc12
InChIInChI=1S/C20H13N5O2/c21-19-20-23-8-9-25(20)18(17(24-19)16-6-4-14(11-26)27-16)13-3-5-15-12(10-13)2-1-7-22-15/h1-11H,(H2,21,24)
InChIKeyKMYVVBOGWVJEEA-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.60
Rot. Bonds3

About 5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde

5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde (PubChem CID 137393740) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde
PubChem CID137393740
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Name5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde
SMILESNc1nc(-c2ccc(C=O)o2)c(-c2ccc3ncccc3c2)n2ccnc12
InChIInChI=1S/C20H13N5O2/c21-19-20-23-8-9-25(20)18(17(24-19)16-6-4-14(11-26)27-16)13-3-5-15-12(10-13)2-1-7-22-15/h1-11H,(H2,21,24)
InChIKeyKMYVVBOGWVJEEA-UHFFFAOYSA-N
XLogP3.60
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde (CID 137393740) is 5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde is Nc1nc(-c2ccc(C=O)o2)c(-c2ccc3ncccc3c2)n2ccnc12.
What is the InChIKey of 5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde?
The InChIKey is KMYVVBOGWVJEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c21-19-20-23-8-9-25(20)18(17(24-19)16-6-4-14(11-26)27-16)13-3-5-15-12(10-13)2-1-7-22-15/h1-11H,(H2,21,24).
What are the key properties of 5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde?
5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde has a molecular weight of 355.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde is sourced from PubChem (CID 137393740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).