4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

C23H21F6N3O3 — CID 166159282

About 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 166159282) has the molecular formula C23H21F6N3O3 and a molecular weight of 501.43 g/mol. Its IUPAC name is 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
• PubChem CID: 166159282
• Molecular Formula: C23H21F6N3O3
• Molecular Weight: 501.43 g/mol
• Exact Mass: 501.15
• IUPAC Name: 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
• SMILES: C[C@@H]1[C@@H](c2ccc(F)c3c2CCC3(F)F)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@]1(C)C(F)(F)F
• InChI: InChI=1S/C23H21F6N3O3/c1-10-16(12-3-4-14(24)17-13(12)5-7-22(17,25)26)18(35-21(10,2)23(27,28)29)20(34)32-11-6-8-31-15(9-11)19(30)33/h3-4,6,8-10,16,18H,5,7H2,1-2H3,(H2,30,33)(H,31,32,34)/t10-,16+,18-,21+/m1/s1
• InChIKey: ZMFNAPURSKKNRG-JYNCKYNQSA-N
• XLogP: 4.44
• TPSA: 94.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.43
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The IUPAC name of 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (CID 166159282) is 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is C[C@@H]1[C@@H](c2ccc(F)c3c2CCC3(F)F)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@]1(C)C(F)(F)F.

What is the InChIKey of 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The InChIKey is ZMFNAPURSKKNRG-JYNCKYNQSA-N. The full InChI is InChI=1S/C23H21F6N3O3/c1-10-16(12-3-4-14(24)17-13(12)5-7-22(17,25)26)18(35-21(10,2)23(27,28)29)20(34)32-11-6-8-31-15(9-11)19(30)33/h3-4,6,8-10,16,18H,5,7H2,1-2H3,(H2,30,33)(H,31,32,34)/t10-,16+,18-,21+/m1/s1.

What are the key properties of 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 501.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166159282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).