3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide

C28H27F2N7O4 — CID 175548235

About 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide

3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide (PubChem CID 175548235) has the molecular formula C28H27F2N7O4 and a molecular weight of 563.57 g/mol. Its IUPAC name is 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide
• PubChem CID: 175548235
• Molecular Formula: C28H27F2N7O4
• Molecular Weight: 563.57 g/mol
• Exact Mass: 563.21
• IUPAC Name: 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCCC(N)C4)c3)c(F)c2)[nH]c(=O)n1-c1ccc(F)cc1
• InChI: InChI=1S/C28H27F2N7O4/c1-16-25(35-28(40)37(16)20-7-4-17(29)5-8-20)26(38)33-19-6-9-23(22(30)13-19)41-21-10-11-32-24(14-21)34-27(39)36-12-2-3-18(31)15-36/h4-11,13-14,18H,2-3,12,15,31H2,1H3,(H,33,38)(H,35,40)(H,32,34,39)
• InChIKey: WABFXDLTRMOMQK-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 147.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.57
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide?

The IUPAC name of 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide (CID 175548235) is 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide.

What is the SMILES notation for 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide?

The canonical SMILES for 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCCC(N)C4)c3)c(F)c2)[nH]c(=O)n1-c1ccc(F)cc1.

What is the InChIKey of 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide?

The InChIKey is WABFXDLTRMOMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N7O4/c1-16-25(35-28(40)37(16)20-7-4-17(29)5-8-20)26(38)33-19-6-9-23(22(30)13-19)41-21-10-11-32-24(14-21)34-27(39)36-12-2-3-18(31)15-36/h4-11,13-14,18H,2-3,12,15,31H2,1H3,(H,33,38)(H,35,40)(H,32,34,39).

What are the key properties of 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide?

3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide has a molecular weight of 563.57 g/mol, XLogP of 4.15, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 175548235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).