N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride

C24H22ClN5S — CID 69319441

About N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride

N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride (PubChem CID 69319441) has the molecular formula C24H22ClN5S and a molecular weight of 448.00 g/mol. Its IUPAC name is N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride.

Molecular Properties

• Compound Name: N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride
• PubChem CID: 69319441
• Molecular Formula: C24H22ClN5S
• Molecular Weight: 448.00 g/mol
• Exact Mass: 447.13
• IUPAC Name: N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride
• SMILES: CC(C)(C)Nc1c(-c2ccc(C#Cc3ccc4cc[nH]c4c3)s2)nc2cnccn12.Cl
• InChI: InChI=1S/C24H21N5S.ClH/c1-24(2,3)28-23-22(27-21-15-25-12-13-29(21)23)20-9-8-18(30-20)7-5-16-4-6-17-10-11-26-19(17)14-16;/h4,6,8-15,26,28H,1-3H3;1H
• InChIKey: YMOIKERIAZHFIA-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 58.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.00
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
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-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride?

The IUPAC name of N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride (CID 69319441) is N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride.

What is the SMILES notation for N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride?

The canonical SMILES for N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride is CC(C)(C)Nc1c(-c2ccc(C#Cc3ccc4cc[nH]c4c3)s2)nc2cnccn12.Cl.

What is the InChIKey of N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride?

The InChIKey is YMOIKERIAZHFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5S.ClH/c1-24(2,3)28-23-22(27-21-15-25-12-13-29(21)23)20-9-8-18(30-20)7-5-16-4-6-17-10-11-26-19(17)14-16;/h4,6,8-15,26,28H,1-3H3;1H.

What are the key properties of N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride?

N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride has a molecular weight of 448.00 g/mol, XLogP of 5.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride is sourced from PubChem (CID 69319441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).