(6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C21H17F7N4O4 — CID 134285130

About (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

(6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 134285130) has the molecular formula C21H17F7N4O4 and a molecular weight of 522.38 g/mol. Its IUPAC name is (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 134285130
• Molecular Formula: C21H17F7N4O4
• Molecular Weight: 522.38 g/mol
• Exact Mass: 522.11
• IUPAC Name: (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: Cc1c(C(=O)C(=O)NC2(C(F)(F)F)COC2)c2n(c1C(=O)Nc1ccnc(C(F)F)c1F)C[C@H](F)C2
• InChI: InChI=1S/C21H17F7N4O4/c1-8-12(16(33)19(35)31-20(6-36-7-20)21(26,27)28)11-4-9(22)5-32(11)15(8)18(34)30-10-2-3-29-14(13(10)23)17(24)25/h2-3,9,17H,4-7H2,1H3,(H,31,35)(H,29,30,34)/t9-/m1/s1
• InChIKey: ACXVSWWSVCRTBR-SECBINFHSA-N
• XLogP: 3.04
• TPSA: 102.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.38
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 134285130) is (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

What is the SMILES notation for (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The canonical SMILES for (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is Cc1c(C(=O)C(=O)NC2(C(F)(F)F)COC2)c2n(c1C(=O)Nc1ccnc(C(F)F)c1F)C[C@H](F)C2.

What is the InChIKey of (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is ACXVSWWSVCRTBR-SECBINFHSA-N. The full InChI is InChI=1S/C21H17F7N4O4/c1-8-12(16(33)19(35)31-20(6-36-7-20)21(26,27)28)11-4-9(22)5-32(11)15(8)18(34)30-10-2-3-29-14(13(10)23)17(24)25/h2-3,9,17H,4-7H2,1H3,(H,31,35)(H,29,30,34)/t9-/m1/s1.

What are the key properties of (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

(6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 522.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 134285130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).