N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide

C145H144F16N28O21S — CID 158668554

IUPACN-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
SMILESCCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)c3n2CCC3)CC(F)(F)C1.CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccnc(C(C)F)c3F)c3n2CCC3)CC(F)(F)C1.Cc1c(F)cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1c(F)cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CO)CC(F)(F)C3)n3c2CCC3)cc1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1C(F)F
InChIInChI=1S/C26H26F2N4O4.C25H26F4N4O4.C24H22F4N6O3.C24H24F2N6O3.C23H21F2N5O3S.C23H25F2N3O4/c1-4-19(33)25(12-26(27,28)13-25)31-24(36)22(34)21-15(3)20(18-6-5-9-32(18)21)23(35)30-17-8-7-14(2)16(10-17)11-29;1-4-16(34)24(10-25(28,29)11-24)32-23(37)21(35)20-12(2)17(15-6-5-9-33(15)20)22(36)31-14-7-8-30-19(13(3)26)18(14)27;1-11-14(25)6-13(7-15(11)26)30-21(36)18-12(2)19(34-5-3-4-16(18)34)20(35)22(37)31-23(9-24(27,28)10-23)17-8-29-33-32-17;1-12-5-6-14(10-15(12)21(25)26)28-22(34)18-13(2)19(32-9-3-4-16(18)32)20(33)23(35)29-24(7-8-24)17-11-27-31-30-17;1-11-14(24)8-13(9-15(11)25)27-20(32)17-12(2)18(30-7-3-4-16(17)30)19(31)21(33)28-23(5-6-23)22-29-26-10-34-22;1-13-5-7-15(8-6-13)26-20(31)17-14(2)18(28-9-3-4-16(17)28)19(30)21(32)27-22(12-29)10-23(24,25)11-22/h7-8,10H,4-6,9,12-13H2,1-3H3,(H,30,35)(H,31,36);7-8,13H,4-6,9-11H2,1-3H3,(H,32,37)(H,30,31,36);6-8H,3-5,9-10H2,1-2H3,(H,30,36)(H,31,37)(H,29,32,33);5-6,10-11,21H,3-4,7-9H2,1-2H3,(H,28,34)(H,29,35)(H,27,30,31);8-10H,3-7H2,1-2H3,(H,27,32)(H,28,33);5-8,29H,3-4,9-12H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyIDQXHJQCNQBDBF-UHFFFAOYSA-N
MW2950.96 g/mol
LogP20.48
Rot. Bonds40

About N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide

N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 158668554) has the molecular formula C145H144F16N28O21S and a molecular weight of 2950.96 g/mol. Its IUPAC name is N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
PubChem CID158668554
Molecular FormulaC145H144F16N28O21S
Molecular Weight2950.96 g/mol
Exact Mass2949.05
IUPAC NameN-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
SMILESCCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)c3n2CCC3)CC(F)(F)C1.CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccnc(C(C)F)c3F)c3n2CCC3)CC(F)(F)C1.Cc1c(F)cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1c(F)cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CO)CC(F)(F)C3)n3c2CCC3)cc1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1C(F)F
InChIInChI=1S/C26H26F2N4O4.C25H26F4N4O4.C24H22F4N6O3.C24H24F2N6O3.C23H21F2N5O3S.C23H25F2N3O4/c1-4-19(33)25(12-26(27,28)13-25)31-24(36)22(34)21-15(3)20(18-6-5-9-32(18)21)23(35)30-17-8-7-14(2)16(10-17)11-29;1-4-16(34)24(10-25(28,29)11-24)32-23(37)21(35)20-12(2)17(15-6-5-9-33(15)20)22(36)31-14-7-8-30-19(13(3)26)18(14)27;1-11-14(25)6-13(7-15(11)26)30-21(36)18-12(2)19(34-5-3-4-16(18)34)20(35)22(37)31-23(9-24(27,28)10-23)17-8-29-33-32-17;1-12-5-6-14(10-15(12)21(25)26)28-22(34)18-13(2)19(32-9-3-4-16(18)32)20(33)23(35)29-24(7-8-24)17-11-27-31-30-17;1-11-14(24)8-13(9-15(11)25)27-20(32)17-12(2)18(30-7-3-4-16(17)30)19(31)21(33)28-23(5-6-23)22-29-26-10-34-22;1-13-5-7-15(8-6-13)26-20(31)17-14(2)18(28-9-3-4-16(17)28)19(30)21(32)27-22(12-29)10-23(24,25)11-22/h7-8,10H,4-6,9,12-13H2,1-3H3,(H,30,35)(H,31,36);7-8,13H,4-6,9-11H2,1-3H3,(H,32,37)(H,30,31,36);6-8H,3-5,9-10H2,1-2H3,(H,30,36)(H,31,37)(H,29,32,33);5-6,10-11,21H,3-4,7-9H2,1-2H3,(H,28,34)(H,29,35)(H,27,30,31);8-10H,3-7H2,1-2H3,(H,27,32)(H,28,33);5-8,29H,3-4,9-12H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyIDQXHJQCNQBDBF-UHFFFAOYSA-N
XLogP20.48
TPSA681.17 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds40
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002950.96
LogP ≤ 520.48
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The IUPAC name of N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 158668554) is N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide.
What is the SMILES notation for N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The canonical SMILES for N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide is CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)c3n2CCC3)CC(F)(F)C1.CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccnc(C(C)F)c3F)c3n2CCC3)CC(F)(F)C1.Cc1c(F)cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1c(F)cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CO)CC(F)(F)C3)n3c2CCC3)cc1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1C(F)F.
What is the InChIKey of N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The InChIKey is IDQXHJQCNQBDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O4.C25H26F4N4O4.C24H22F4N6O3.C24H24F2N6O3.C23H21F2N5O3S.C23H25F2N3O4/c1-4-19(33)25(12-26(27,28)13-25)31-24(36)22(34)21-15(3)20(18-6-5-9-32(18)21)23(35)30-17-8-7-14(2)16(10-17)11-29;1-4-16(34)24(10-25(28,29)11-24)32-23(37)21(35)20-12(2)17(15-6-5-9-33(15)20)22(36)31-14-7-8-30-19(13(3)26)18(14)27;1-11-14(25)6-13(7-15(11)26)30-21(36)18-12(2)19(34-5-3-4-16(18)34)20(35)22(37)31-23(9-24(27,28)10-23)17-8-29-33-32-17;1-12-5-6-14(10-15(12)21(25)26)28-22(34)18-13(2)19(32-9-3-4-16(18)32)20(33)23(35)29-24(7-8-24)17-11-27-31-30-17;1-11-14(24)8-13(9-15(11)25)27-20(32)17-12(2)18(30-7-3-4-16(17)30)19(31)21(33)28-23(5-6-23)22-29-26-10-34-22;1-13-5-7-15(8-6-13)26-20(31)17-14(2)18(28-9-3-4-16(17)28)19(30)21(32)27-22(12-29)10-23(24,25)11-22/h7-8,10H,4-6,9,12-13H2,1-3H3,(H,30,35)(H,31,36);7-8,13H,4-6,9-11H2,1-3H3,(H,32,37)(H,30,31,36);6-8H,3-5,9-10H2,1-2H3,(H,30,36)(H,31,37)(H,29,32,33);5-6,10-11,21H,3-4,7-9H2,1-2H3,(H,28,34)(H,29,35)(H,27,30,31);8-10H,3-7H2,1-2H3,(H,27,32)(H,28,33);5-8,29H,3-4,9-12H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 2950.96 g/mol, XLogP of 20.48, 40 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3,5-difluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 158668554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).