4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide

C23H27F3IN7O5 — CID 171790617

About 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide

4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 171790617) has the molecular formula C23H27F3IN7O5 and a molecular weight of 665.41 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 171790617
• Molecular Formula: C23H27F3IN7O5
• Molecular Weight: 665.41 g/mol
• Exact Mass: 665.11
• IUPAC Name: 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide
• SMILES: CC(C)(C)O[C@H](I)[C@H](NC(=O)c1nonc1C1CC1)C(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1
• InChI: InChI=1S/C23H27F3IN7O5/c1-22(2,3)38-18(27)17(31-19(35)16-15(12-4-5-12)32-39-33-16)20(36)30-14-8-11(6-7-28-14)9-34-10-13(23(24,25)26)29-21(34)37/h6-8,12-13,17-18H,4-5,9-10H2,1-3H3,(H,29,37)(H,31,35)(H,28,30,36)/t13-,17-,18-/m0/s1
• InChIKey: YSXXEBWVIMOHLJ-KKXDTOCCSA-N
• XLogP: 3.11
• TPSA: 151.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	665.41
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide (CID 171790617) is 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide is CC(C)(C)O[C@H](I)[C@H](NC(=O)c1nonc1C1CC1)C(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1.

What is the InChIKey of 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is YSXXEBWVIMOHLJ-KKXDTOCCSA-N. The full InChI is InChI=1S/C23H27F3IN7O5/c1-22(2,3)38-18(27)17(31-19(35)16-15(12-4-5-12)32-39-33-16)20(36)30-14-8-11(6-7-28-14)9-34-10-13(23(24,25)26)29-21(34)37/h6-8,12-13,17-18H,4-5,9-10H2,1-3H3,(H,29,37)(H,31,35)(H,28,30,36)/t13-,17-,18-/m0/s1.

What are the key properties of 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide?

4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 665.41 g/mol, XLogP of 3.11, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 171790617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).