3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide

C17H17FN4OS — CID 90647646

IUPAC3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide
SMILESO=C(CCSCc1ccc(F)cc1)NCc1cnc2cnccn12
InChIInChI=1S/C17H17FN4OS/c18-14-3-1-13(2-4-14)12-24-8-5-17(23)21-10-15-9-20-16-11-19-6-7-22(15)16/h1-4,6-7,9,11H,5,8,10,12H2,(H,21,23)
InChIKeyNLWZZCQJJFZDBJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.81
Rot. Bonds7

About 3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide

3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide (PubChem CID 90647646) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide
PubChem CID90647646
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide
SMILESO=C(CCSCc1ccc(F)cc1)NCc1cnc2cnccn12
InChIInChI=1S/C17H17FN4OS/c18-14-3-1-13(2-4-14)12-24-8-5-17(23)21-10-15-9-20-16-11-19-6-7-22(15)16/h1-4,6-7,9,11H,5,8,10,12H2,(H,21,23)
InChIKeyNLWZZCQJJFZDBJ-UHFFFAOYSA-N
XLogP2.81
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide (CID 90647646) is 3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide is O=C(CCSCc1ccc(F)cc1)NCc1cnc2cnccn12.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide?
The InChIKey is NLWZZCQJJFZDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c18-14-3-1-13(2-4-14)12-24-8-5-17(23)21-10-15-9-20-16-11-19-6-7-22(15)16/h1-4,6-7,9,11H,5,8,10,12H2,(H,21,23).
What are the key properties of 3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide?
3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide has a molecular weight of 344.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfanyl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)propanamide is sourced from PubChem (CID 90647646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).