bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C113H123F9N22O20 — CID 157183123

About bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 157183123) has the molecular formula C113H123F9N22O20 and a molecular weight of 2280.34 g/mol. Its IUPAC name is bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 157183123
• Molecular Formula: C113H123F9N22O20
• Molecular Weight: 2280.34 g/mol
• Exact Mass: 2278.91
• IUPAC Name: bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: CNC(=O)C(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(F)c2)n2c1CCC2.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccnc(C(C)F)c1F)C[C@H](F)C2.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(=O)O)c3n2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(N)=O)c3n2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(N)=O)c3n2CCC3)cc1F
• InChI: InChI=1S/C24H22F5N7O3.C23H27FN4O4.2C22H25FN4O4.C22H24FN3O5/c1-10-16(20(37)22(39)33-23(8-24(28,29)9-23)15-6-31-35-34-15)14-5-12(26)7-36(14)19(10)21(38)32-13-3-4-30-18(11(2)25)17(13)27;1-12-8-9-14(11-15(12)24)26-20(30)18-13(2)17(16-7-6-10-28(16)18)19(29)21(31)27-23(3,4)22(32)25-5;2*1-11-7-8-13(10-14(11)23)25-19(29)17-12(2)16(15-6-5-9-27(15)17)18(28)20(30)26-22(3,4)21(24)31;1-11-7-8-13(10-14(11)23)24-19(28)17-12(2)16(15-6-5-9-26(15)17)18(27)20(29)25-22(3,4)21(30)31/h3-4,6,11-12H,5,7-9H2,1-2H3,(H,33,39)(H,30,32,38)(H,31,34,35);8-9,11H,6-7,10H2,1-5H3,(H,25,32)(H,26,30)(H,27,31);2*7-8,10H,5-6,9H2,1-4H3,(H2,24,31)(H,25,29)(H,26,30);7-8,10H,5-6,9H2,1-4H3,(H,24,28)(H,25,29)(H,30,31)/t11?,12-;;;;/m1..../s1
• InChIKey: AOUHDYFDXSIEQW-UWBQHCOISA-N
• XLogP: 12.13
• TPSA: 608.04 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2280.34
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 157183123) is bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

What is the SMILES notation for bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The canonical SMILES for bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CNC(=O)C(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(F)c2)n2c1CCC2.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccnc(C(C)F)c1F)C[C@H](F)C2.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(=O)O)c3n2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(N)=O)c3n2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(N)=O)c3n2CCC3)cc1F.

What is the InChIKey of bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is AOUHDYFDXSIEQW-UWBQHCOISA-N. The full InChI is InChI=1S/C24H22F5N7O3.C23H27FN4O4.2C22H25FN4O4.C22H24FN3O5/c1-10-16(20(37)22(39)33-23(8-24(28,29)9-23)15-6-31-35-34-15)14-5-12(26)7-36(14)19(10)21(38)32-13-3-4-30-18(11(2)25)17(13)27;1-12-8-9-14(11-15(12)24)26-20(30)18-13(2)17(16-7-6-10-28(16)18)19(29)21(31)27-23(3,4)22(32)25-5;2*1-11-7-8-13(10-14(11)23)25-19(29)17-12(2)16(15-6-5-9-27(15)17)18(28)20(30)26-22(3,4)21(24)31;1-11-7-8-13(10-14(11)23)24-19(28)17-12(2)16(15-6-5-9-26(15)17)18(27)20(29)25-22(3,4)21(30)31/h3-4,6,11-12H,5,7-9H2,1-2H3,(H,33,39)(H,30,32,38)(H,31,34,35);8-9,11H,6-7,10H2,1-5H3,(H,25,32)(H,26,30)(H,27,31);2*7-8,10H,5-6,9H2,1-4H3,(H2,24,31)(H,25,29)(H,26,30);7-8,10H,5-6,9H2,1-4H3,(H,24,28)(H,25,29)(H,30,31)/t11?,12-;;;;/m1..../s1.

What are the key properties of bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 2280.34 g/mol, XLogP of 12.13, 31 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide);(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetyl]amino]-2-methylpropanoic acid;N-(3-fluoro-4-methylphenyl)-2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 157183123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).