7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine

C26H20N4S — CID 69318352

IUPAC7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCCc1ccn2c(Nc3ccccc3)c(-c3ccc(C#Cc4ccccn4)s3)nc2c1
InChIInChI=1S/C26H20N4S/c1-2-19-15-17-30-24(18-19)29-25(26(30)28-21-9-4-3-5-10-21)23-14-13-22(31-23)12-11-20-8-6-7-16-27-20/h3-10,13-18,28H,2H2,1H3
InChIKeyUFJZNUFLCDLRJX-UHFFFAOYSA-N
MW420.54 g/mol
LogP6.16
Rot. Bonds4

About 7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine

7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 69318352) has the molecular formula C26H20N4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID69318352
Molecular FormulaC26H20N4S
Molecular Weight420.54 g/mol
Exact Mass420.14
IUPAC Name7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCCc1ccn2c(Nc3ccccc3)c(-c3ccc(C#Cc4ccccn4)s3)nc2c1
InChIInChI=1S/C26H20N4S/c1-2-19-15-17-30-24(18-19)29-25(26(30)28-21-9-4-3-5-10-21)23-14-13-22(31-23)12-11-20-8-6-7-16-27-20/h3-10,13-18,28H,2H2,1H3
InChIKeyUFJZNUFLCDLRJX-UHFFFAOYSA-N
XLogP6.16
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 69318352) is 7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine is CCc1ccn2c(Nc3ccccc3)c(-c3ccc(C#Cc4ccccn4)s3)nc2c1.
What is the InChIKey of 7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is UFJZNUFLCDLRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4S/c1-2-19-15-17-30-24(18-19)29-25(26(30)28-21-9-4-3-5-10-21)23-14-13-22(31-23)12-11-20-8-6-7-16-27-20/h3-10,13-18,28H,2H2,1H3.
What are the key properties of 7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 420.54 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-phenyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 69318352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).