1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid

C29H26ClF4N5O4 — CID 175832252

About 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid

1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid (PubChem CID 175832252) has the molecular formula C29H26ClF4N5O4 and a molecular weight of 620.00 g/mol. Its IUPAC name is 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid
• PubChem CID: 175832252
• Molecular Formula: C29H26ClF4N5O4
• Molecular Weight: 620.00 g/mol
• Exact Mass: 619.16
• IUPAC Name: 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid
• SMILES: CN1CC2(C1)CN(c1cc(-c3cc(F)cc(-c4ccc(-n5ccn(C)c5=O)c(Cl)c4)c3O)ccn1)C2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C27H25ClFN5O2.C2HF3O2/c1-31-13-27(14-31)15-33(16-27)24-10-18(5-6-30-24)21-12-19(29)11-20(25(21)35)17-3-4-23(22(28)9-17)34-8-7-32(2)26(34)36;3-2(4,5)1(6)7/h3-12,35H,13-16H2,1-2H3;(H,6,7)
• InChIKey: HECDHIFZOJTTQF-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 103.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.00
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid?

The IUPAC name of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid (CID 175832252) is 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid?

The canonical SMILES for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid is CN1CC2(C1)CN(c1cc(-c3cc(F)cc(-c4ccc(-n5ccn(C)c5=O)c(Cl)c4)c3O)ccn1)C2.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid?

The InChIKey is HECDHIFZOJTTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O2.C2HF3O2/c1-31-13-27(14-31)15-33(16-27)24-10-18(5-6-30-24)21-12-19(29)11-20(25(21)35)17-3-4-23(22(28)9-17)34-8-7-32(2)26(34)36;3-2(4,5)1(6)7/h3-12,35H,13-16H2,1-2H3;(H,6,7).

What are the key properties of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid?

1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 620.00 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175832252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).