(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

C₂₂H₁₈F₄N₄O₃S — CID 169241134

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

(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 169241134) has the molecular formula C₂₂H₁₈F₄N₄O₃S and a molecular weight of 494.47 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 169241134
• Molecular Formula: C₂₂H₁₈F₄N₄O₃S
• Molecular Weight: 494.47 g/mol
• Exact Mass: 494.10
• IUPAC Name: (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@]1(C(N)=O)COc2c1cc([C@@H](CNC(=O)c1nccs1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C22H18F4N4O3S/c1-21(20(27)32)10-33-17-13(21)8-15(30-16(17)11-2-4-12(23)5-3-11)14(22(24,25)26)9-29-18(31)19-28-6-7-34-19/h2-8,14H,9-10H2,1H3,(H2,27,32)(H,29,31)/t14-,21+/m1/s1
• InChIKey: KHXMJGAWTKFGNS-SZNDQCEHSA-N
• XLogP: 3.56
• TPSA: 107.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.47
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (CID 169241134) is (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@]1(C(N)=O)COc2c1cc([C@@H](CNC(=O)c1nccs1)C(F)(F)F)nc2-c1ccc(F)cc1.

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

The InChIKey is KHXMJGAWTKFGNS-SZNDQCEHSA-N. The full InChI is InChI=1S/C22H18F4N4O3S/c1-21(20(27)32)10-33-17-13(21)8-15(30-16(17)11-2-4-12(23)5-3-11)14(22(24,25)26)9-29-18(31)19-28-6-7-34-19/h2-8,14H,9-10H2,1H3,(H2,27,32)(H,29,31)/t14-,21+/m1/s1.

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

(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 494.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 169241134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169241134 — identifiers, structure, computed properties (public domain)

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