(8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide

C25H19ClF5N5O4 — CID 166482552

About (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide

(8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 166482552) has the molecular formula C25H19ClF5N5O4 and a molecular weight of 583.90 g/mol. Its IUPAC name is (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 166482552
• Molecular Formula: C25H19ClF5N5O4
• Molecular Weight: 583.90 g/mol
• Exact Mass: 583.10
• IUPAC Name: (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
• SMILES: O=C1Cn2c(C(=O)N[C@@H]3CCOC3)nc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c2[C@H](c2cc(F)ccc2Cl)N1
• InChI: InChI=1S/C25H19ClF5N5O4/c26-17-2-1-13(27)8-16(17)19-20-21(35-23(38)11-5-12(25(29,30)31)7-14(28)6-11)34-22(36(20)9-18(37)33-19)24(39)32-15-3-4-40-10-15/h1-2,5-8,15,19H,3-4,9-10H2,(H,32,39)(H,33,37)(H,35,38)/t15-,19+/m1/s1
• InChIKey: KKJDPERCUWABTA-BEFAXECRSA-N
• XLogP: 3.82
• TPSA: 114.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.90
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide (CID 166482552) is (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide is O=C1Cn2c(C(=O)N[C@@H]3CCOC3)nc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c2[C@H](c2cc(F)ccc2Cl)N1.

What is the InChIKey of (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is KKJDPERCUWABTA-BEFAXECRSA-N. The full InChI is InChI=1S/C25H19ClF5N5O4/c26-17-2-1-13(27)8-16(17)19-20-21(35-23(38)11-5-12(25(29,30)31)7-14(28)6-11)34-22(36(20)9-18(37)33-19)24(39)32-15-3-4-40-10-15/h1-2,5-8,15,19H,3-4,9-10H2,(H,32,39)(H,33,37)(H,35,38)/t15-,19+/m1/s1.

What are the key properties of (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?

(8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 583.90 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 166482552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).