N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide

C21H15ClF4N4O4 — CID 175712709

About N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide

N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide (PubChem CID 175712709) has the molecular formula C21H15ClF4N4O4 and a molecular weight of 498.82 g/mol. Its IUPAC name is N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
• PubChem CID: 175712709
• Molecular Formula: C21H15ClF4N4O4
• Molecular Weight: 498.82 g/mol
• Exact Mass: 498.07
• IUPAC Name: N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
• SMILES: O=C1CC[C@@H](N2Cc3cc(C(=O)N[C@H](c4ncc(Cl)cc4F)C(F)(F)F)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C21H15ClF4N4O4/c22-11-6-13(23)16(27-7-11)17(21(24,25)26)29-18(32)9-1-2-12-10(5-9)8-30(20(12)34)14-3-4-15(31)28-19(14)33/h1-2,5-7,14,17H,3-4,8H2,(H,29,32)(H,28,31,33)/t14-,17-/m1/s1
• InChIKey: GNWXSWVFOQQWGW-RHSMWYFYSA-N
• XLogP: 2.67
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.82
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide?

The IUPAC name of N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide (CID 175712709) is N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide.

What is the SMILES notation for N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide?

The canonical SMILES for N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide is O=C1CC[C@@H](N2Cc3cc(C(=O)N[C@H](c4ncc(Cl)cc4F)C(F)(F)F)ccc3C2=O)C(=O)N1.

What is the InChIKey of N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide?

The InChIKey is GNWXSWVFOQQWGW-RHSMWYFYSA-N. The full InChI is InChI=1S/C21H15ClF4N4O4/c22-11-6-13(23)16(27-7-11)17(21(24,25)26)29-18(32)9-1-2-12-10(5-9)8-30(20(12)34)14-3-4-15(31)28-19(14)33/h1-2,5-7,14,17H,3-4,8H2,(H,29,32)(H,28,31,33)/t14-,17-/m1/s1.

What are the key properties of N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide?

N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide has a molecular weight of 498.82 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide is sourced from PubChem (CID 175712709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).