3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

C69H74F8N10O10 — CID 160558591

About 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 160558591) has the molecular formula C69H74F8N10O10 and a molecular weight of 1355.39 g/mol. Its IUPAC name is 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
• PubChem CID: 160558591
• Molecular Formula: C69H74F8N10O10
• Molecular Weight: 1355.39 g/mol
• Exact Mass: 1354.55
• IUPAC Name: 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
• SMILES: Cc1cc(NC(=O)c2cc(C(=O)C(=O)NC3(C(C)(F)F)CC3)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2cc(C(=O)C(=O)NC3(C(F)(F)F)CCC3)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2cc(C(=O)C(=O)N[C@H](C(N)=O)C(C)C)n3c2CCCC3)ccc1F
• InChI: InChI=1S/C23H23F4N3O3.C23H24F3N3O3.C23H27FN4O4/c1-13-11-14(6-7-16(13)24)28-20(32)15-12-18(30-10-3-2-5-17(15)30)19(31)21(33)29-22(8-4-9-22)23(25,26)27;1-13-11-14(6-7-16(13)24)27-20(31)15-12-18(29-10-4-3-5-17(15)29)19(30)21(32)28-23(8-9-23)22(2,25)26;1-12(2)19(21(25)30)27-23(32)20(29)18-11-15(17-6-4-5-9-28(17)18)22(31)26-14-7-8-16(24)13(3)10-14/h6-7,11-12H,2-5,8-10H2,1H3,(H,28,32)(H,29,33);6-7,11-12H,3-5,8-10H2,1-2H3,(H,27,31)(H,28,32);7-8,10-12,19H,4-6,9H2,1-3H3,(H2,25,30)(H,26,31)(H,27,32)/t;;19-/m..0/s1
• InChIKey: QYZYYELDPDWRCA-OKUOIOCTSA-N
• XLogP: 10.65
• TPSA: 283.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1355.39
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The IUPAC name of 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 160558591) is 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

What is the SMILES notation for 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The canonical SMILES for 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is Cc1cc(NC(=O)c2cc(C(=O)C(=O)NC3(C(C)(F)F)CC3)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2cc(C(=O)C(=O)NC3(C(F)(F)F)CCC3)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2cc(C(=O)C(=O)N[C@H](C(N)=O)C(C)C)n3c2CCCC3)ccc1F.

What is the InChIKey of 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The InChIKey is QYZYYELDPDWRCA-OKUOIOCTSA-N. The full InChI is InChI=1S/C23H23F4N3O3.C23H24F3N3O3.C23H27FN4O4/c1-13-11-14(6-7-16(13)24)28-20(32)15-12-18(30-10-3-2-5-17(15)30)19(31)21(33)29-22(8-4-9-22)23(25,26)27;1-13-11-14(6-7-16(13)24)27-20(31)15-12-18(29-10-4-3-5-17(15)29)19(30)21(32)28-23(8-9-23)22(2,25)26;1-12(2)19(21(25)30)27-23(32)20(29)18-11-15(17-6-4-5-9-28(17)18)22(31)26-14-7-8-16(24)13(3)10-14/h6-7,11-12H,2-5,8-10H2,1H3,(H,28,32)(H,29,33);6-7,11-12H,3-5,8-10H2,1-2H3,(H,27,31)(H,28,32);7-8,10-12,19H,4-6,9H2,1-3H3,(H2,25,30)(H,26,31)(H,27,32)/t;;19-/m..0/s1.

What are the key properties of 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 1355.39 g/mol, XLogP of 10.65, 18 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[1-(1,1-difluoroethyl)cyclopropyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 160558591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).