(6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C48H47F7N10O7 — CID 159130627

About (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide

(6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 159130627) has the molecular formula C48H47F7N10O7 and a molecular weight of 1008.95 g/mol. Its IUPAC name is (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 159130627
• Molecular Formula: C48H47F7N10O7
• Molecular Weight: 1008.95 g/mol
• Exact Mass: 1008.35
• IUPAC Name: (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)n3c2C[C@@H](F)C3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)c3n2C[C@H](F)C3)cc1
• InChI: InChI=1S/C24H24F4N4O4.C24H23F3N6O3/c1-11-4-5-14(7-15(11)26)30-20(34)18-12(2)17(16-6-13(25)8-32(16)18)19(33)21(35)31-23(22(36)29-3)9-24(27,28)10-23;1-12-3-5-15(6-4-12)29-21(35)19-13(2)18(16-7-14(25)9-33(16)19)20(34)22(36)30-23(10-24(26,27)11-23)17-8-28-32-31-17/h4-5,7,13H,6,8-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);3-6,8,14H,7,9-11H2,1-2H3,(H,29,35)(H,30,36)(H,28,31,32)/t13-;14-/m11/s1
• InChIKey: KGVQNSVCNQSEQU-PZDXOQIKSA-N
• XLogP: 5.60
• TPSA: 231.07 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1008.95
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 159130627) is (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

What is the SMILES notation for (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The canonical SMILES for (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)n3c2C[C@@H](F)C3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)c3n2C[C@H](F)C3)cc1.

What is the InChIKey of (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is KGVQNSVCNQSEQU-PZDXOQIKSA-N. The full InChI is InChI=1S/C24H24F4N4O4.C24H23F3N6O3/c1-11-4-5-14(7-15(11)26)30-20(34)18-12(2)17(16-6-13(25)8-32(16)18)19(33)21(35)31-23(22(36)29-3)9-24(27,28)10-23;1-12-3-5-15(6-4-12)29-21(35)19-13(2)18(16-7-14(25)9-33(16)19)20(34)22(36)30-23(10-24(26,27)11-23)17-8-28-32-31-17/h4-5,7,13H,6,8-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);3-6,8,14H,7,9-11H2,1-2H3,(H,29,35)(H,30,36)(H,28,31,32)/t13-;14-/m11/s1.

What are the key properties of (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

(6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 1008.95 g/mol, XLogP of 5.60, 12 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-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-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 159130627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).