6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid

C27H28Cl2F4N4O5 — CID 171927501

About 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid

6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid (PubChem CID 171927501) has the molecular formula C27H28Cl2F4N4O5 and a molecular weight of 635.44 g/mol. Its IUPAC name is 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid
• PubChem CID: 171927501
• Molecular Formula: C27H28Cl2F4N4O5
• Molecular Weight: 635.44 g/mol
• Exact Mass: 634.14
• IUPAC Name: 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC(CN2CCOCC2)CC1
• InChI: InChI=1S/C25H27Cl2FN4O3.C2HF3O2/c26-20-13-22-24(33)29-14-18(32(22)23(20)27)11-17-1-2-21(28)19(12-17)25(34)31-5-3-16(4-6-31)15-30-7-9-35-10-8-30;3-2(4,5)1(6)7/h1-2,12-14,16H,3-11,15H2,(H,29,33);(H,6,7)
• InChIKey: PDFAHUYJRRPLDL-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 107.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.44
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid?

The IUPAC name of 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid (CID 171927501) is 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC(CN2CCOCC2)CC1.

What is the InChIKey of 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid?

The InChIKey is PDFAHUYJRRPLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2FN4O3.C2HF3O2/c26-20-13-22-24(33)29-14-18(32(22)23(20)27)11-17-1-2-21(28)19(12-17)25(34)31-5-3-16(4-6-31)15-30-7-9-35-10-8-30;3-2(4,5)1(6)7/h1-2,12-14,16H,3-11,15H2,(H,29,33);(H,6,7).

What are the key properties of 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid?

6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 635.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dichloro-4-[[4-fluoro-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171927501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).