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

C117H118ClF2N25O19S3 — CID 160827661

IUPAC(2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCc1c(C(=O)C(=O)NC2(c3nncs3)CC2)c2n(c1C(=O)Nc1ccnc(C(C)F)c1F)[C@@H]1C[C@@H]1C2.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CS(=O)(=O)C3)c3n2[C@@H]2C[C@@H]2C3)cc1C#N.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CS(=O)(=O)C3)c3n2[C@@H]2C[C@@H]2C3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)cc1.Cc1cccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)c1
InChIInChI=1S/C24H22F2N6O3S.C24H24N4O5S.C23H24ClN3O5S.2C23H24N6O3/c1-10-16(20(33)22(35)30-24(4-5-24)23-31-28-9-36-23)15-8-12-7-14(12)32(15)19(10)21(34)29-13-3-6-27-18(11(2)25)17(13)26;1-12-4-5-16(6-15(12)9-25)26-22(30)20-13(2)19(18-8-14-7-17(14)28(18)20)21(29)23(31)27-24(3)10-34(32,33)11-24;1-11-4-5-14(8-15(11)24)25-21(29)19-12(2)18(17-7-13-6-16(13)27(17)19)20(28)22(30)26-23(3)9-33(31,32)10-23;1-13-5-3-6-15(11-13)25-21(31)19-14(2)18(16-7-4-10-29(16)19)20(30)22(32)26-23(8-9-23)17-12-24-28-27-17;1-13-5-7-15(8-6-13)25-21(31)19-14(2)18(16-4-3-11-29(16)19)20(30)22(32)26-23(9-10-23)17-12-24-28-27-17/h3,6,9,11-12,14H,4-5,7-8H2,1-2H3,(H,30,35)(H,27,29,34);4-6,14,17H,7-8,10-11H2,1-3H3,(H,26,30)(H,27,31);4-5,8,13,16H,6-7,9-10H2,1-3H3,(H,25,29)(H,26,30);3,5-6,11-12H,4,7-10H2,1-2H3,(H,25,31)(H,26,32)(H,24,27,28);5-8,12H,3-4,9-11H2,1-2H3,(H,25,31)(H,26,32)(H,24,27,28)/t11?,12-,14-;14-,17-;13-,16-;;/m111../s1
InChIKeySGJXEXWVPGRBIP-KEFSEOSRSA-N
MW2348.04 g/mol
LogP12.84
Rot. Bonds29

About (2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

(2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 160827661) has the molecular formula C117H118ClF2N25O19S3 and a molecular weight of 2348.04 g/mol. Its IUPAC name is (2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
PubChem CID160827661
Molecular FormulaC117H118ClF2N25O19S3
Molecular Weight2348.04 g/mol
Exact Mass2345.79
IUPAC Name(2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCc1c(C(=O)C(=O)NC2(c3nncs3)CC2)c2n(c1C(=O)Nc1ccnc(C(C)F)c1F)[C@@H]1C[C@@H]1C2.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CS(=O)(=O)C3)c3n2[C@@H]2C[C@@H]2C3)cc1C#N.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CS(=O)(=O)C3)c3n2[C@@H]2C[C@@H]2C3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)cc1.Cc1cccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)c1
InChIInChI=1S/C24H22F2N6O3S.C24H24N4O5S.C23H24ClN3O5S.2C23H24N6O3/c1-10-16(20(33)22(35)30-24(4-5-24)23-31-28-9-36-23)15-8-12-7-14(12)32(15)19(10)21(34)29-13-3-6-27-18(11(2)25)17(13)26;1-12-4-5-16(6-15(12)9-25)26-22(30)20-13(2)19(18-8-14-7-17(14)28(18)20)21(29)23(31)27-24(3)10-34(32,33)11-24;1-11-4-5-14(8-15(11)24)25-21(29)19-12(2)18(17-7-13-6-16(13)27(17)19)20(28)22(30)26-23(3)9-33(31,32)10-23;1-13-5-3-6-15(11-13)25-21(31)19-14(2)18(16-7-4-10-29(16)19)20(30)22(32)26-23(8-9-23)17-12-24-28-27-17;1-13-5-7-15(8-6-13)25-21(31)19-14(2)18(16-4-3-11-29(16)19)20(30)22(32)26-23(9-10-23)17-12-24-28-27-17/h3,6,9,11-12,14H,4-5,7-8H2,1-2H3,(H,30,35)(H,27,29,34);4-6,14,17H,7-8,10-11H2,1-3H3,(H,26,30)(H,27,31);4-5,8,13,16H,6-7,9-10H2,1-3H3,(H,25,29)(H,26,30);3,5-6,11-12H,4,7-10H2,1-2H3,(H,25,31)(H,26,32)(H,24,27,28);5-8,12H,3-4,9-11H2,1-2H3,(H,25,31)(H,26,32)(H,24,27,28)/t11?,12-,14-;14-,17-;13-,16-;;/m111../s1
InChIKeySGJXEXWVPGRBIP-KEFSEOSRSA-N
XLogP12.84
TPSA614.88 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms167
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002348.04
LogP ≤ 512.84
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The IUPAC name of (2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 160827661) is (2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.
What is the SMILES notation for (2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The canonical SMILES for (2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is Cc1c(C(=O)C(=O)NC2(c3nncs3)CC2)c2n(c1C(=O)Nc1ccnc(C(C)F)c1F)[C@@H]1C[C@@H]1C2.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CS(=O)(=O)C3)c3n2[C@@H]2C[C@@H]2C3)cc1C#N.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C)CS(=O)(=O)C3)c3n2[C@@H]2C[C@@H]2C3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)cc1.Cc1cccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)c1.
What is the InChIKey of (2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The InChIKey is SGJXEXWVPGRBIP-KEFSEOSRSA-N. The full InChI is InChI=1S/C24H22F2N6O3S.C24H24N4O5S.C23H24ClN3O5S.2C23H24N6O3/c1-10-16(20(33)22(35)30-24(4-5-24)23-31-28-9-36-23)15-8-12-7-14(12)32(15)19(10)21(34)29-13-3-6-27-18(11(2)25)17(13)26;1-12-4-5-16(6-15(12)9-25)26-22(30)20-13(2)19(18-8-14-7-17(14)28(18)20)21(29)23(31)27-24(3)10-34(32,33)11-24;1-11-4-5-14(8-15(11)24)25-21(29)19-12(2)18(17-7-13-6-16(13)27(17)19)20(28)22(30)26-23(3)9-33(31,32)10-23;1-13-5-3-6-15(11-13)25-21(31)19-14(2)18(16-7-4-10-29(16)19)20(30)22(32)26-23(8-9-23)17-12-24-28-27-17;1-13-5-7-15(8-6-13)25-21(31)19-14(2)18(16-4-3-11-29(16)19)20(30)22(32)26-23(9-10-23)17-12-24-28-27-17/h3,6,9,11-12,14H,4-5,7-8H2,1-2H3,(H,30,35)(H,27,29,34);4-6,14,17H,7-8,10-11H2,1-3H3,(H,26,30)(H,27,31);4-5,8,13,16H,6-7,9-10H2,1-3H3,(H,25,29)(H,26,30);3,5-6,11-12H,4,7-10H2,1-2H3,(H,25,31)(H,26,32)(H,24,27,28);5-8,12H,3-4,9-11H2,1-2H3,(H,25,31)(H,26,32)(H,24,27,28)/t11?,12-,14-;14-,17-;13-,16-;;/m111../s1.
What are the key properties of (2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
(2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 2348.04 g/mol, XLogP of 12.84, 29 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(3-chloro-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-(3-cyano-4-methylphenyl)-8-methyl-7-[2-[(3-methyl-1,1-dioxothietan-3-yl)amino]-2-oxoacetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(2R,4R)-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-8-methyl-7-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;2-methyl-N-(3-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-methyl-N-(4-methylphenyl)-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 160827661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).