2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide

C19H18ClFN6O2S — CID 174200380

About 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide

2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide (PubChem CID 174200380) has the molecular formula C19H18ClFN6O2S and a molecular weight of 448.91 g/mol. Its IUPAC name is 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide
• PubChem CID: 174200380
• Molecular Formula: C19H18ClFN6O2S
• Molecular Weight: 448.91 g/mol
• Exact Mass: 448.09
• IUPAC Name: 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide
• SMILES: Cc1nsc(-c2nc(NC(=O)CCl)c3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1
• InChI: InChI=1S/C19H18ClFN6O2S/c1-10-15-16(23-14(28)9-20)24-17(18-22-11(2)25-30-18)27(15)8-7-26(10)19(29)12-3-5-13(21)6-4-12/h3-6,10H,7-9H2,1-2H3,(H,23,28)
• InChIKey: LPJRCXRHXYEABZ-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.91
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide?

The IUPAC name of 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide (CID 174200380) is 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide.

What is the SMILES notation for 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide?

The canonical SMILES for 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide is Cc1nsc(-c2nc(NC(=O)CCl)c3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1.

What is the InChIKey of 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide?

The InChIKey is LPJRCXRHXYEABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN6O2S/c1-10-15-16(23-14(28)9-20)24-17(18-22-11(2)25-30-18)27(15)8-7-26(10)19(29)12-3-5-13(21)6-4-12/h3-6,10H,7-9H2,1-2H3,(H,23,28).

What are the key properties of 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide?

2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide has a molecular weight of 448.91 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide is sourced from PubChem (CID 174200380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).