N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride

C22H21ClN4S — CID 11603916

About N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride

N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride (PubChem CID 11603916) has the molecular formula C22H21ClN4S and a molecular weight of 408.96 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride.

Molecular Properties

• Compound Name: N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride
• PubChem CID: 11603916
• Molecular Formula: C22H21ClN4S
• Molecular Weight: 408.96 g/mol
• Exact Mass: 408.12
• IUPAC Name: N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride
• SMILES: CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccn3)s2)nc2ccccn12.Cl
• InChI: InChI=1S/C22H20N4S.ClH/c1-22(2,3)25-21-20(24-19-9-5-7-15-26(19)21)18-13-12-17(27-18)11-10-16-8-4-6-14-23-16;/h4-9,12-15,25H,1-3H3;1H
• InChIKey: LWITVGHSWMZTCP-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 42.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.96
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride?

The IUPAC name of N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride (CID 11603916) is N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride.

What is the SMILES notation for N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride?

The canonical SMILES for N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride is CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccn3)s2)nc2ccccn12.Cl.

What is the InChIKey of N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride?

The InChIKey is LWITVGHSWMZTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S.ClH/c1-22(2,3)25-21-20(24-19-9-5-7-15-26(19)21)18-13-12-17(27-18)11-10-16-8-4-6-14-23-16;/h4-9,12-15,25H,1-3H3;1H.

What are the key properties of N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride?

N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride has a molecular weight of 408.96 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 11603916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).