(3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

C27H21F5N4O3 — CID 164910853

About (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164910853) has the molecular formula C27H21F5N4O3 and a molecular weight of 544.48 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 164910853
• Molecular Formula: C27H21F5N4O3
• Molecular Weight: 544.48 g/mol
• Exact Mass: 544.15
• IUPAC Name: (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@]1(C(N)=O)COc2c1cc(C(CNC(=O)c1ccc3[nH]ccc3c1F)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C27H21F5N4O3/c1-26(25(33)38)12-39-23-17(26)10-20(36-22(23)13-2-4-14(28)5-3-13)18(27(30,31)32)11-35-24(37)16-6-7-19-15(21(16)29)8-9-34-19/h2-10,18,34H,11-12H2,1H3,(H2,33,38)(H,35,37)/t18?,26-/m0/s1
• InChIKey: WRMFFNHCWIJVCX-IHZSNKTASA-N
• XLogP: 4.72
• TPSA: 110.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.48
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164910853) is (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@]1(C(N)=O)COc2c1cc(C(CNC(=O)c1ccc3[nH]ccc3c1F)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is WRMFFNHCWIJVCX-IHZSNKTASA-N. The full InChI is InChI=1S/C27H21F5N4O3/c1-26(25(33)38)12-39-23-17(26)10-20(36-22(23)13-2-4-14(28)5-3-13)18(27(30,31)32)11-35-24(37)16-6-7-19-15(21(16)29)8-9-34-19/h2-10,18,34H,11-12H2,1H3,(H2,33,38)(H,35,37)/t18?,26-/m0/s1.

What are the key properties of (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 544.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164910853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).