N-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide

C146H142F12N30O20S2 — CID 160593120

IUPACN-(3-cyano-4-methylphenyl)-3-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-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.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)c3n2C[C@H]2C[C@@H]32)CC(F)(F)C1.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(c4cn[nH]n4)CC(F)(F)C3)n3c2[C@@H]2C[C@@H]2C3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1
InChIInChI=1S/C26H26F2N4O4.C25H23F3N6O3.C25H25F3N4O4.C24H24F2N6O3.C23H21F2N5O3S.C23H23N5O3S/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;1-11-3-4-14(6-16(11)26)30-22(36)18-12(2)19(34-8-13-5-15(13)20(18)34)21(35)23(37)31-24(9-25(27,28)10-24)17-7-29-33-32-17;1-11-4-5-14(7-16(11)26)30-21(34)17-12(2)18(32-8-13-6-15(13)19(17)32)20(33)22(35)31-24(23(36)29-3)9-25(27,28)10-24;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)25-20(30)17-14(2)18(28-11-3-4-16(17)28)19(29)21(31)26-23(9-10-23)22-27-24-12-32-22/h7-8,10H,4-6,9,12-13H2,1-3H3,(H,30,35)(H,31,36);3-4,6-7,13,15H,5,8-10H2,1-2H3,(H,30,36)(H,31,37)(H,29,32,33);4-5,7,13,15H,6,8-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);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);5-8,12H,3-4,9-11H2,1-2H3,(H,25,30)(H,26,31)/t;2*13-,15-;;;/m.11.../s1
InChIKeyRDGZTFAGVNMUIF-FSUXMQDLSA-N
MW2929.04 g/mol
LogP19.71
Rot. Bonds38

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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 160593120) has the molecular formula C146H142F12N30O20S2 and a molecular weight of 2929.04 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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
PubChem CID160593120
Molecular FormulaC146H142F12N30O20S2
Molecular Weight2929.04 g/mol
Exact Mass2927.03
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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-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.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)c3n2C[C@H]2C[C@@H]32)CC(F)(F)C1.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(c4cn[nH]n4)CC(F)(F)C3)n3c2[C@@H]2C[C@@H]2C3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1
InChIInChI=1S/C26H26F2N4O4.C25H23F3N6O3.C25H25F3N4O4.C24H24F2N6O3.C23H21F2N5O3S.C23H23N5O3S/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;1-11-3-4-14(6-16(11)26)30-22(36)18-12(2)19(34-8-13-5-15(13)20(18)34)21(35)23(37)31-24(9-25(27,28)10-24)17-7-29-33-32-17;1-11-4-5-14(7-16(11)26)30-21(34)17-12(2)18(32-8-13-6-15(13)19(17)32)20(33)22(35)31-24(23(36)29-3)9-25(27,28)10-24;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)25-20(30)17-14(2)18(28-11-3-4-16(17)28)19(29)21(31)26-23(9-10-23)22-27-24-12-32-22/h7-8,10H,4-6,9,12-13H2,1-3H3,(H,30,35)(H,31,36);3-4,6-7,13,15H,5,8-10H2,1-2H3,(H,30,36)(H,31,37)(H,29,32,33);4-5,7,13,15H,6,8-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);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);5-8,12H,3-4,9-11H2,1-2H3,(H,25,30)(H,26,31)/t;2*13-,15-;;;/m.11.../s1
InChIKeyRDGZTFAGVNMUIF-FSUXMQDLSA-N
XLogP19.71
TPSA685.86 Ų
H-Bond Donors15
H-Bond Acceptors37
Rotatable Bonds38
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002929.04
LogP ≤ 519.71
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1037

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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 160593120) 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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-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.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)c3n2C[C@H]2C[C@@H]32)CC(F)(F)C1.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(c4cn[nH]n4)CC(F)(F)C3)n3c2[C@@H]2C[C@@H]2C3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1.
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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The InChIKey is RDGZTFAGVNMUIF-FSUXMQDLSA-N. The full InChI is InChI=1S/C26H26F2N4O4.C25H23F3N6O3.C25H25F3N4O4.C24H24F2N6O3.C23H21F2N5O3S.C23H23N5O3S/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;1-11-3-4-14(6-16(11)26)30-22(36)18-12(2)19(34-8-13-5-15(13)20(18)34)21(35)23(37)31-24(9-25(27,28)10-24)17-7-29-33-32-17;1-11-4-5-14(7-16(11)26)30-21(34)17-12(2)18(32-8-13-6-15(13)19(17)32)20(33)22(35)31-24(23(36)29-3)9-25(27,28)10-24;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)25-20(30)17-14(2)18(28-11-3-4-16(17)28)19(29)21(31)26-23(9-10-23)22-27-24-12-32-22/h7-8,10H,4-6,9,12-13H2,1-3H3,(H,30,35)(H,31,36);3-4,6-7,13,15H,5,8-10H2,1-2H3,(H,30,36)(H,31,37)(H,29,32,33);4-5,7,13,15H,6,8-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);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);5-8,12H,3-4,9-11H2,1-2H3,(H,25,30)(H,26,31)/t;2*13-,15-;;;/m.11.../s1.
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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 2929.04 g/mol, XLogP of 19.71, 38 rotatable bonds, 15 hydrogen bond donors, and 37 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;(2R,4S)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-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)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 160593120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).