2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine

C17H11N5S — CID 69316828

IUPAC2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESNc1c(-c2ccc(C#Cc3ccccn3)s2)nc2cnccn12
InChIInChI=1S/C17H11N5S/c18-17-16(21-15-11-19-9-10-22(15)17)14-7-6-13(23-14)5-4-12-3-1-2-8-20-12/h1-3,6-11H,18H2
InChIKeyWYDYGEPFCVHXKE-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.83
Rot. Bonds1

About 2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine

2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine (PubChem CID 69316828) has the molecular formula C17H11N5S and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
PubChem CID69316828
Molecular FormulaC17H11N5S
Molecular Weight317.38 g/mol
Exact Mass317.07
IUPAC Name2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESNc1c(-c2ccc(C#Cc3ccccn3)s2)nc2cnccn12
InChIInChI=1S/C17H11N5S/c18-17-16(21-15-11-19-9-10-22(15)17)14-7-6-13(23-14)5-4-12-3-1-2-8-20-12/h1-3,6-11H,18H2
InChIKeyWYDYGEPFCVHXKE-UHFFFAOYSA-N
XLogP2.83
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine (CID 69316828) is 2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine is Nc1c(-c2ccc(C#Cc3ccccn3)s2)nc2cnccn12.
What is the InChIKey of 2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is WYDYGEPFCVHXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5S/c18-17-16(21-15-11-19-9-10-22(15)17)14-7-6-13(23-14)5-4-12-3-1-2-8-20-12/h1-3,6-11H,18H2.
What are the key properties of 2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 317.38 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 69316828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).