N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C23H14ClF5N6O2 — CID 176593649

About N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 176593649) has the molecular formula C23H14ClF5N6O2 and a molecular weight of 536.85 g/mol. Its IUPAC name is N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide
• PubChem CID: 176593649
• Molecular Formula: C23H14ClF5N6O2
• Molecular Weight: 536.85 g/mol
• Exact Mass: 536.08
• IUPAC Name: N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide
• SMILES: O=C1Cn2c(-c3ccn[nH]3)nc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c2C(c2cc(F)ccc2Cl)N1
• InChI: InChI=1S/C23H14ClF5N6O2/c24-15-2-1-12(25)8-14(15)18-19-20(32-21(16-3-4-30-34-16)35(19)9-17(36)31-18)33-22(37)10-5-11(23(27,28)29)7-13(26)6-10/h1-8,18H,9H2,(H,30,34)(H,31,36)(H,33,37)
• InChIKey: BPDGAAJAQRXDCN-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 104.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.85
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide?

The IUPAC name of N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 176593649) is N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide?

The canonical SMILES for N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide is O=C1Cn2c(-c3ccn[nH]3)nc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c2C(c2cc(F)ccc2Cl)N1.

What is the InChIKey of N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide?

The InChIKey is BPDGAAJAQRXDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF5N6O2/c24-15-2-1-12(25)8-14(15)18-19-20(32-21(16-3-4-30-34-16)35(19)9-17(36)31-18)33-22(37)10-5-11(23(27,28)29)7-13(26)6-10/h1-8,18H,9H2,(H,30,34)(H,31,36)(H,33,37).

What are the key properties of N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide?

N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 536.85 g/mol, XLogP of 4.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 176593649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).