bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide

C143H147ClF11N29O22S3 — CID 157054727

IUPACbis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
SMILESCOCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)ccc1C.COCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC(F)(F)C3)n3c2CCC3)ccc1C.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(N)=O)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(N)=O)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC(F)(F)C3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F
InChIInChI=1S/C26H28F2N6O4.C26H27F2N5O4S.C25H23F4N5O3S.C22H19ClFN5O3S.2C22H25FN4O4/c1-14-6-7-17(9-16(14)11-38-3)30-23(36)20-15(2)21(34-8-4-5-18(20)34)22(35)24(37)31-25(12-26(27,28)13-25)19-10-29-33-32-19;1-14-6-7-17(9-16(14)10-37-3)30-22(35)19-15(2)20(33-8-4-5-18(19)33)21(34)23(36)31-25(11-26(27,28)12-25)24-32-29-13-38-24;1-12-5-6-14(8-15(12)20(26)27)31-21(36)17-13(2)18(34-7-3-4-16(17)34)19(35)22(37)32-24(9-25(28,29)10-24)23-33-30-11-38-23;1-11-4-5-12(9-13(11)24)26-19(31)15-14-3-2-8-29(14)17(16(15)23)18(30)20(32)27-22(6-7-22)21-28-25-10-33-21;2*1-11-7-8-13(10-14(11)23)25-19(29)16-12(2)17(27-9-5-6-15(16)27)18(28)20(30)26-22(3,4)21(24)31/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,30,36)(H,31,37)(H,29,32,33);6-7,9,13H,4-5,8,10-12H2,1-3H3,(H,30,35)(H,31,36);5-6,8,11,20H,3-4,7,9-10H2,1-2H3,(H,31,36)(H,32,37);4-5,9-10H,2-3,6-8H2,1H3,(H,26,31)(H,27,32);2*7-8,10H,5-6,9H2,1-4H3,(H2,24,31)(H,25,29)(H,26,30)
InChIKeyAAPRSJYHRLTEQS-UHFFFAOYSA-N
MW2964.56 g/mol
LogP19.47
Rot. Bonds41

About bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide

bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 157054727) has the molecular formula C143H147ClF11N29O22S3 and a molecular weight of 2964.56 g/mol. Its IUPAC name is bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound Namebis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
PubChem CID157054727
Molecular FormulaC143H147ClF11N29O22S3
Molecular Weight2964.56 g/mol
Exact Mass2962.00
IUPAC Namebis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
SMILESCOCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)ccc1C.COCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC(F)(F)C3)n3c2CCC3)ccc1C.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(N)=O)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(N)=O)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC(F)(F)C3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F
InChIInChI=1S/C26H28F2N6O4.C26H27F2N5O4S.C25H23F4N5O3S.C22H19ClFN5O3S.2C22H25FN4O4/c1-14-6-7-17(9-16(14)11-38-3)30-23(36)20-15(2)21(34-8-4-5-18(20)34)22(35)24(37)31-25(12-26(27,28)13-25)19-10-29-33-32-19;1-14-6-7-17(9-16(14)10-37-3)30-22(35)19-15(2)20(33-8-4-5-18(19)33)21(34)23(36)31-25(11-26(27,28)12-25)24-32-29-13-38-24;1-12-5-6-14(8-15(12)20(26)27)31-21(36)17-13(2)18(34-7-3-4-16(17)34)19(35)22(37)32-24(9-25(28,29)10-24)23-33-30-11-38-23;1-11-4-5-12(9-13(11)24)26-19(31)15-14-3-2-8-29(14)17(16(15)23)18(30)20(32)27-22(6-7-22)21-28-25-10-33-21;2*1-11-7-8-13(10-14(11)23)25-19(29)16-12(2)17(27-9-5-6-15(16)27)18(28)20(30)26-22(3,4)21(24)31/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,30,36)(H,31,37)(H,29,32,33);6-7,9,13H,4-5,8,10-12H2,1-3H3,(H,30,35)(H,31,36);5-6,8,11,20H,3-4,7,9-10H2,1-2H3,(H,31,36)(H,32,37);4-5,9-10H,2-3,6-8H2,1H3,(H,26,31)(H,27,32);2*7-8,10H,5-6,9H2,1-4H3,(H2,24,31)(H,25,29)(H,26,30)
InChIKeyAAPRSJYHRLTEQS-UHFFFAOYSA-N
XLogP19.47
TPSA704.75 Ų
H-Bond Donors15
H-Bond Acceptors39
Rotatable Bonds41
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002964.56
LogP ≤ 519.47
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The IUPAC name of bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 157054727) is bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide.
What is the SMILES notation for bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The canonical SMILES for bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide is COCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)ccc1C.COCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC(F)(F)C3)n3c2CCC3)ccc1C.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(N)=O)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(N)=O)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC(F)(F)C3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F.
What is the InChIKey of bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The InChIKey is AAPRSJYHRLTEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O4.C26H27F2N5O4S.C25H23F4N5O3S.C22H19ClFN5O3S.2C22H25FN4O4/c1-14-6-7-17(9-16(14)11-38-3)30-23(36)20-15(2)21(34-8-4-5-18(20)34)22(35)24(37)31-25(12-26(27,28)13-25)19-10-29-33-32-19;1-14-6-7-17(9-16(14)10-37-3)30-22(35)19-15(2)20(33-8-4-5-18(19)33)21(34)23(36)31-25(11-26(27,28)12-25)24-32-29-13-38-24;1-12-5-6-14(8-15(12)20(26)27)31-21(36)17-13(2)18(34-7-3-4-16(17)34)19(35)22(37)32-24(9-25(28,29)10-24)23-33-30-11-38-23;1-11-4-5-12(9-13(11)24)26-19(31)15-14-3-2-8-29(14)17(16(15)23)18(30)20(32)27-22(6-7-22)21-28-25-10-33-21;2*1-11-7-8-13(10-14(11)23)25-19(29)16-12(2)17(27-9-5-6-15(16)27)18(28)20(30)26-22(3,4)21(24)31/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,30,36)(H,31,37)(H,29,32,33);6-7,9,13H,4-5,8,10-12H2,1-3H3,(H,30,35)(H,31,36);5-6,8,11,20H,3-4,7,9-10H2,1-2H3,(H,31,36)(H,32,37);4-5,9-10H,2-3,6-8H2,1H3,(H,26,31)(H,27,32);2*7-8,10H,5-6,9H2,1-4H3,(H2,24,31)(H,25,29)(H,26,30).
What are the key properties of bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 2964.56 g/mol, XLogP of 19.47, 41 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);2-chloro-N-(3-fluoro-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-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(methoxymethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 157054727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).