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

C144H145Cl2F6N29O20 — CID 158192130

IUPACN-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide
SMILESC#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2CCC3)CC1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)n3c2C[C@H]2C[C@H]23)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3)n3c2C[C@H]2C[C@H]23)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn(C)nn4)CC3)c3n2CCC3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)c(F)c1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2[C@@H]2C[C@@H]2C3)cc1
InChIInChI=1S/C25H25F3N4O4.C25H26F2N4O4.C24H25ClN6O3.C24H24N6O3.C23H22ClN3O3.C23H23FN6O3/c1-11-4-5-14(8-15(11)26)30-21(34)19-12(2)18(17-7-13-6-16(13)32(17)19)20(33)22(35)31-24(23(36)29-3)9-25(27,28)10-24;1-12-4-6-15(7-5-12)29-21(33)19-13(2)18(17-9-14-8-16(14)31(17)19)20(32)22(34)30-24(23(35)28-3)10-25(26,27)11-24;1-13-6-7-15(11-16(13)25)26-22(33)20-14(2)19(17-5-4-10-31(17)20)21(32)23(34)27-24(8-9-24)18-12-30(3)29-28-18;1-12-3-5-15(6-4-12)26-22(32)20-13(2)19(17-10-14-9-16(14)30(17)20)21(31)23(33)27-24(7-8-24)18-11-25-29-28-18;1-4-23(9-10-23)26-22(30)20(28)18-14(3)19(27-11-5-6-17(18)27)21(29)25-15-8-7-13(2)16(24)12-15;1-12-5-6-15(14(24)10-12)26-21(32)19-13(2)18(16-4-3-9-30(16)19)20(31)22(33)27-23(7-8-23)17-11-25-29-28-17/h4-5,8,13,16H,6-7,9-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);4-7,14,16H,8-11H2,1-3H3,(H,28,35)(H,29,33)(H,30,34);6-7,11-12H,4-5,8-10H2,1-3H3,(H,26,33)(H,27,34);3-6,11,14,16H,7-10H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29);1,7-8,12H,5-6,9-11H2,2-3H3,(H,25,29)(H,26,30);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29)/t13-,16-;14-,16-;;14-,16-;;/m11.1../s1
InChIKeyFZWSKJUGQBEEBL-NSGSLVRYSA-N
MW2786.82 g/mol
LogP17.14
Rot. Bonds35

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

N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide (PubChem CID 158192130) has the molecular formula C144H145Cl2F6N29O20 and a molecular weight of 2786.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide
PubChem CID158192130
Molecular FormulaC144H145Cl2F6N29O20
Molecular Weight2786.82 g/mol
Exact Mass2784.05
IUPAC NameN-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide
SMILESC#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2CCC3)CC1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)n3c2C[C@H]2C[C@H]23)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3)n3c2C[C@H]2C[C@H]23)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn(C)nn4)CC3)c3n2CCC3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)c(F)c1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2[C@@H]2C[C@@H]2C3)cc1
InChIInChI=1S/C25H25F3N4O4.C25H26F2N4O4.C24H25ClN6O3.C24H24N6O3.C23H22ClN3O3.C23H23FN6O3/c1-11-4-5-14(8-15(11)26)30-21(34)19-12(2)18(17-7-13-6-16(13)32(17)19)20(33)22(35)31-24(23(36)29-3)9-25(27,28)10-24;1-12-4-6-15(7-5-12)29-21(33)19-13(2)18(17-9-14-8-16(14)31(17)19)20(32)22(34)30-24(23(35)28-3)10-25(26,27)11-24;1-13-6-7-15(11-16(13)25)26-22(33)20-14(2)19(17-5-4-10-31(17)20)21(32)23(34)27-24(8-9-24)18-12-30(3)29-28-18;1-12-3-5-15(6-4-12)26-22(32)20-13(2)19(17-10-14-9-16(14)30(17)20)21(31)23(33)27-24(7-8-24)18-11-25-29-28-18;1-4-23(9-10-23)26-22(30)20(28)18-14(3)19(27-11-5-6-17(18)27)21(29)25-15-8-7-13(2)16(24)12-15;1-12-5-6-15(14(24)10-12)26-21(32)19-13(2)18(16-4-3-9-30(16)19)20(31)22(33)27-23(7-8-23)17-11-25-29-28-17/h4-5,8,13,16H,6-7,9-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);4-7,14,16H,8-11H2,1-3H3,(H,28,35)(H,29,33)(H,30,34);6-7,11-12H,4-5,8-10H2,1-3H3,(H,26,33)(H,27,34);3-6,11,14,16H,7-10H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29);1,7-8,12H,5-6,9-11H2,2-3H3,(H,25,29)(H,26,30);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29)/t13-,16-;14-,16-;;14-,16-;;/m11.1../s1
InChIKeyFZWSKJUGQBEEBL-NSGSLVRYSA-N
XLogP17.14
TPSA653.25 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds35
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002786.82
LogP ≤ 517.14
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide (CID 158192130) is N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide is C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2CCC3)CC1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)n3c2C[C@H]2C[C@H]23)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3)n3c2C[C@H]2C[C@H]23)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn(C)nn4)CC3)c3n2CCC3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)c(F)c1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2[C@@H]2C[C@@H]2C3)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide?
The InChIKey is FZWSKJUGQBEEBL-NSGSLVRYSA-N. The full InChI is InChI=1S/C25H25F3N4O4.C25H26F2N4O4.C24H25ClN6O3.C24H24N6O3.C23H22ClN3O3.C23H23FN6O3/c1-11-4-5-14(8-15(11)26)30-21(34)19-12(2)18(17-7-13-6-16(13)32(17)19)20(33)22(35)31-24(23(36)29-3)9-25(27,28)10-24;1-12-4-6-15(7-5-12)29-21(33)19-13(2)18(17-9-14-8-16(14)31(17)19)20(32)22(34)30-24(23(35)28-3)10-25(26,27)11-24;1-13-6-7-15(11-16(13)25)26-22(33)20-14(2)19(17-5-4-10-31(17)20)21(32)23(34)27-24(8-9-24)18-12-30(3)29-28-18;1-12-3-5-15(6-4-12)26-22(32)20-13(2)19(17-10-14-9-16(14)30(17)20)21(31)23(33)27-24(7-8-24)18-11-25-29-28-18;1-4-23(9-10-23)26-22(30)20(28)18-14(3)19(27-11-5-6-17(18)27)21(29)25-15-8-7-13(2)16(24)12-15;1-12-5-6-15(14(24)10-12)26-21(32)19-13(2)18(16-4-3-9-30(16)19)20(31)22(33)27-23(7-8-23)17-11-25-29-28-17/h4-5,8,13,16H,6-7,9-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);4-7,14,16H,8-11H2,1-3H3,(H,28,35)(H,29,33)(H,30,34);6-7,11-12H,4-5,8-10H2,1-3H3,(H,26,33)(H,27,34);3-6,11,14,16H,7-10H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29);1,7-8,12H,5-6,9-11H2,2-3H3,(H,25,29)(H,26,30);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29)/t13-,16-;14-,16-;;14-,16-;;/m11.1../s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide?
N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide has a molecular weight of 2786.82 g/mol, XLogP of 17.14, 35 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-[[1-(1-methyltriazol-4-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-7-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(2R,4R)-8-methyl-N-(4-methylphenyl)-7-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide is sourced from PubChem (CID 158192130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).