RACISBGPOIPUKD-UHFFFAOYSA-N

C₃₂H₂₆Cl₃F₃N₈O — CID 123167278

About RACISBGPOIPUKD-UHFFFAOYSA-N

RACISBGPOIPUKD-UHFFFAOYSA-N (PubChem CID 123167278) has the molecular formula C₃₂H₂₆Cl₃F₃N₈O and a molecular weight of 701.97 g/mol. Its IUPAC name is N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: RACISBGPOIPUKD-UHFFFAOYSA-N
• PubChem CID: 123167278
• Molecular Formula: C₃₂H₂₆Cl₃F₃N₈O
• Molecular Weight: 701.97 g/mol
• Exact Mass: 700.12
• IUPAC Name: N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide
• SMILES: Cc1cc(C)c(-c2cc(N3CCn4cc(NC(=O)C(F)(F)F)nc4C3)ncc2Cl)nc1Cc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1
• InChI: InChI=1S/C32H26Cl3F3N8O/c1-16-6-17(2)30(42-24(16)8-19-7-18(3)29(41-11-19)20-9-25(35)39-12-22(20)33)21-10-27(40-13-23(21)34)46-5-4-45-14-26(43-28(45)15-46)44-31(47)32(36,37)38/h6-7,9-14H,4-5,8,15H2,1-3H3,(H,44,47)
• InChIKey: RACISBGPOIPUKD-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 101.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.97
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of RACISBGPOIPUKD-UHFFFAOYSA-N?

The IUPAC name of RACISBGPOIPUKD-UHFFFAOYSA-N (CID 123167278) is N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for RACISBGPOIPUKD-UHFFFAOYSA-N?

The canonical SMILES for RACISBGPOIPUKD-UHFFFAOYSA-N is Cc1cc(C)c(-c2cc(N3CCn4cc(NC(=O)C(F)(F)F)nc4C3)ncc2Cl)nc1Cc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1.

What is the InChIKey of RACISBGPOIPUKD-UHFFFAOYSA-N?

The InChIKey is RACISBGPOIPUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl3F3N8O/c1-16-6-17(2)30(42-24(16)8-19-7-18(3)29(41-11-19)20-9-25(35)39-12-22(20)33)21-10-27(40-13-23(21)34)46-5-4-45-14-26(43-28(45)15-46)44-31(47)32(36,37)38/h6-7,9-14H,4-5,8,15H2,1-3H3,(H,44,47).

What are the key properties of RACISBGPOIPUKD-UHFFFAOYSA-N?

RACISBGPOIPUKD-UHFFFAOYSA-N has a molecular weight of 701.97 g/mol, XLogP of 7.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for RACISBGPOIPUKD-UHFFFAOYSA-N is sourced from PubChem (CID 123167278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123167278 — identifiers, structure, computed properties (public domain)

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