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

C30H20ClF5N8O3 — CID 166482741

About (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 166482741) has the molecular formula C30H20ClF5N8O3 and a molecular weight of 670.99 g/mol. Its IUPAC name is (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 166482741
• Molecular Formula: C30H20ClF5N8O3
• Molecular Weight: 670.99 g/mol
• Exact Mass: 670.13
• IUPAC Name: (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
• SMILES: O=C1Cn2c(C(=O)NCc3ccc(-n4cccn4)nc3)nc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c2[C@H](c2cc(F)ccc2Cl)N1
• InChI: InChI=1S/C30H20ClF5N8O3/c31-21-4-3-18(32)11-20(21)24-25-26(42-28(46)16-8-17(30(34,35)36)10-19(33)9-16)41-27(43(25)14-23(45)40-24)29(47)38-13-15-2-5-22(37-12-15)44-7-1-6-39-44/h1-12,24H,13-14H2,(H,38,47)(H,40,45)(H,42,46)/t24-/m0/s1
• InChIKey: RXWBNBPYRGRQEC-DEOSSOPVSA-N
• XLogP: 4.82
• TPSA: 135.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	670.99
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide (CID 166482741) is (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide is O=C1Cn2c(C(=O)NCc3ccc(-n4cccn4)nc3)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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is RXWBNBPYRGRQEC-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H20ClF5N8O3/c31-21-4-3-18(32)11-20(21)24-25-26(42-28(46)16-8-17(30(34,35)36)10-19(33)9-16)41-27(43(25)14-23(45)40-24)29(47)38-13-15-2-5-22(37-12-15)44-7-1-6-39-44/h1-12,24H,13-14H2,(H,38,47)(H,40,45)(H,42,46)/t24-/m0/s1.

What are the key properties of (8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 670.99 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 8 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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 166482741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).