1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide

C30H21ClF6N8O3 — CID 166482997

About 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide

1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 166482997) has the molecular formula C30H21ClF6N8O3 and a molecular weight of 690.99 g/mol. Its IUPAC name is 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 166482997
• Molecular Formula: C30H21ClF6N8O3
• Molecular Weight: 690.99 g/mol
• Exact Mass: 690.13
• IUPAC Name: 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
• SMILES: Fc1ccc(Cl)cc1.O=C1Cn2c(C(=O)NCc3cnc(-n4cccn4)c(F)c3)nc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c2CN1
• InChI: InChI=1S/C24H17F5N8O3.C6H4ClF/c25-15-6-13(5-14(7-15)24(27,28)29)22(39)35-19-17-10-30-18(38)11-36(17)21(34-19)23(40)32-9-12-4-16(26)20(31-8-12)37-3-1-2-33-37;7-5-1-3-6(8)4-2-5/h1-8H,9-11H2,(H,30,38)(H,32,40)(H,35,39);1-4H
• InChIKey: PRKGIDJUVKWCOU-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 135.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.99
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide (CID 166482997) is 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide is Fc1ccc(Cl)cc1.O=C1Cn2c(C(=O)NCc3cnc(-n4cccn4)c(F)c3)nc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c2CN1.

What is the InChIKey of 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is PRKGIDJUVKWCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N8O3.C6H4ClF/c25-15-6-13(5-14(7-15)24(27,28)29)22(39)35-19-17-10-30-18(38)11-36(17)21(34-19)23(40)32-9-12-4-16(26)20(31-8-12)37-3-1-2-33-37;7-5-1-3-6(8)4-2-5/h1-8H,9-11H2,(H,30,38)(H,32,40)(H,35,39);1-4H.

What are the key properties of 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?

1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 690.99 g/mol, XLogP of 5.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 166482997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).