3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C56H66F8N10O7 — CID 166470661

About 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 166470661) has the molecular formula C56H66F8N10O7 and a molecular weight of 1143.19 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 166470661
• Molecular Formula: C56H66F8N10O7
• Molecular Weight: 1143.19 g/mol
• Exact Mass: 1142.50
• IUPAC Name: 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C(=O)N1CCCN1)c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)c(F)c1.CC(C(=O)NCC(F)(F)F)c1cc(F)c(NC(=O)C(NC(=O)c2conc2C2CC2)C(C2CC2)C2CC2)cc1C(F)(F)F
• InChI: InChI=1S/C28H29F7N4O4.C28H37FN6O3/c1-12(24(40)36-11-27(30,31)32)16-8-19(29)20(9-18(16)28(33,34)35)37-26(42)23(21(13-2-3-13)14-4-5-14)38-25(41)17-10-43-39-22(17)15-6-7-15;1-16(2)35-23(11-13-31-35)26(36)33-25(24(18-5-6-18)19-7-8-19)27(37)32-22-10-9-20(15-21(22)29)17(3)28(38)34-14-4-12-30-34/h8-10,12-15,21,23H,2-7,11H2,1H3,(H,36,40)(H,37,42)(H,38,41);9-11,13,15-19,24-25,30H,4-8,12,14H2,1-3H3,(H,32,37)(H,33,36)
• InChIKey: NDVOFHVGNLOXIS-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 221.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1143.19
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 166470661) is 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C(=O)N1CCCN1)c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)c(F)c1.CC(C(=O)NCC(F)(F)F)c1cc(F)c(NC(=O)C(NC(=O)c2conc2C2CC2)C(C2CC2)C2CC2)cc1C(F)(F)F.

What is the InChIKey of 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is NDVOFHVGNLOXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F7N4O4.C28H37FN6O3/c1-12(24(40)36-11-27(30,31)32)16-8-19(29)20(9-18(16)28(33,34)35)37-26(42)23(21(13-2-3-13)14-4-5-14)38-25(41)17-10-43-39-22(17)15-6-7-15;1-16(2)35-23(11-13-31-35)26(36)33-25(24(18-5-6-18)19-7-8-19)27(37)32-22-10-9-20(15-21(22)29)17(3)28(38)34-14-4-12-30-34/h8-10,12-15,21,23H,2-7,11H2,1H3,(H,36,40)(H,37,42)(H,38,41);9-11,13,15-19,24-25,30H,4-8,12,14H2,1-3H3,(H,32,37)(H,33,36).

What are the key properties of 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 1143.19 g/mol, XLogP of 9.28, 21 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethyl)anilino]-3-oxopropan-2-yl]-1,2-oxazole-4-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-(1-oxo-1-pyrazolidin-1-ylpropan-2-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166470661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).