2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane

C115H105Cl5F11N29O15S — CID 158598620

IUPAC2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane
SMILESC.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F
InChIInChI=1S/C24H21ClF4N6O3.C23H20ClF3N6O3.C23H21ClF2N6O3.C22H20ClFN6O3.C22H19ClFN5O3S.CH4/c1-11-4-5-12(7-13(11)20(26)27)31-21(37)16-14-3-2-6-35(14)18(17(16)25)19(36)22(38)32-23(9-24(28,29)10-23)15-8-30-34-33-15;1-11-4-5-12(7-13(11)25)29-20(35)16-14-3-2-6-33(14)18(17(16)24)19(34)21(36)30-22(9-23(26,27)10-22)15-8-28-32-31-15;1-11-4-5-12(9-13(11)20(25)26)28-21(34)16-14-3-2-8-32(14)18(17(16)24)19(33)22(35)29-23(6-7-23)15-10-27-31-30-15;1-11-4-5-12(9-13(11)24)26-20(32)16-14-3-2-8-30(14)18(17(16)23)19(31)21(33)27-22(6-7-22)15-10-25-29-28-15;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;/h4-5,7-8,20H,2-3,6,9-10H2,1H3,(H,31,37)(H,32,38)(H,30,33,34);4-5,7-8H,2-3,6,9-10H2,1H3,(H,29,35)(H,30,36)(H,28,31,32);4-5,9-10,20H,2-3,6-8H2,1H3,(H,28,34)(H,29,35)(H,27,30,31);4-5,9-10H,2-3,6-8H2,1H3,(H,26,32)(H,27,33)(H,25,28,29);4-5,9-10H,2-3,6-8H2,1H3,(H,26,31)(H,27,32);1H4
InChIKeyHVIPNQVMJWXTLJ-UHFFFAOYSA-N
MW2551.60 g/mol
LogP18.71
Rot. Bonds32

About 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane

2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane (PubChem CID 158598620) has the molecular formula C115H105Cl5F11N29O15S and a molecular weight of 2551.60 g/mol. Its IUPAC name is 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane.

Molecular Properties

Compound Name2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane
PubChem CID158598620
Molecular FormulaC115H105Cl5F11N29O15S
Molecular Weight2551.60 g/mol
Exact Mass2547.63
IUPAC Name2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane
SMILESC.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F
InChIInChI=1S/C24H21ClF4N6O3.C23H20ClF3N6O3.C23H21ClF2N6O3.C22H20ClFN6O3.C22H19ClFN5O3S.CH4/c1-11-4-5-12(7-13(11)20(26)27)31-21(37)16-14-3-2-6-35(14)18(17(16)25)19(36)22(38)32-23(9-24(28,29)10-23)15-8-30-34-33-15;1-11-4-5-12(7-13(11)25)29-20(35)16-14-3-2-6-33(14)18(17(16)24)19(34)21(36)30-22(9-23(26,27)10-22)15-8-28-32-31-15;1-11-4-5-12(9-13(11)20(25)26)28-21(34)16-14-3-2-8-32(14)18(17(16)24)19(33)22(35)29-23(6-7-23)15-10-27-31-30-15;1-11-4-5-12(9-13(11)24)26-20(32)16-14-3-2-8-30(14)18(17(16)23)19(31)21(33)27-22(6-7-22)15-10-25-29-28-15;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;/h4-5,7-8,20H,2-3,6,9-10H2,1H3,(H,31,37)(H,32,38)(H,30,33,34);4-5,7-8H,2-3,6,9-10H2,1H3,(H,29,35)(H,30,36)(H,28,31,32);4-5,9-10,20H,2-3,6-8H2,1H3,(H,28,34)(H,29,35)(H,27,30,31);4-5,9-10H,2-3,6-8H2,1H3,(H,26,32)(H,27,33)(H,25,28,29);4-5,9-10H,2-3,6-8H2,1H3,(H,26,31)(H,27,32);1H4
InChIKeyHVIPNQVMJWXTLJ-UHFFFAOYSA-N
XLogP18.71
TPSA593.06 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms176
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002551.60
LogP ≤ 518.71
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane?
The IUPAC name of 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane (CID 158598620) is 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane.
What is the SMILES notation for 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane?
The canonical SMILES for 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane is C.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F.
What is the InChIKey of 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane?
The InChIKey is HVIPNQVMJWXTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF4N6O3.C23H20ClF3N6O3.C23H21ClF2N6O3.C22H20ClFN6O3.C22H19ClFN5O3S.CH4/c1-11-4-5-12(7-13(11)20(26)27)31-21(37)16-14-3-2-6-35(14)18(17(16)25)19(36)22(38)32-23(9-24(28,29)10-23)15-8-30-34-33-15;1-11-4-5-12(7-13(11)25)29-20(35)16-14-3-2-6-33(14)18(17(16)24)19(34)21(36)30-22(9-23(26,27)10-22)15-8-28-32-31-15;1-11-4-5-12(9-13(11)20(25)26)28-21(34)16-14-3-2-8-32(14)18(17(16)24)19(33)22(35)29-23(6-7-23)15-10-27-31-30-15;1-11-4-5-12(9-13(11)24)26-20(32)16-14-3-2-8-30(14)18(17(16)23)19(31)21(33)27-22(6-7-22)15-10-25-29-28-15;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;/h4-5,7-8,20H,2-3,6,9-10H2,1H3,(H,31,37)(H,32,38)(H,30,33,34);4-5,7-8H,2-3,6,9-10H2,1H3,(H,29,35)(H,30,36)(H,28,31,32);4-5,9-10,20H,2-3,6-8H2,1H3,(H,28,34)(H,29,35)(H,27,30,31);4-5,9-10H,2-3,6-8H2,1H3,(H,26,32)(H,27,33)(H,25,28,29);4-5,9-10H,2-3,6-8H2,1H3,(H,26,31)(H,27,32);1H4.
What are the key properties of 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane?
2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane has a molecular weight of 2551.60 g/mol, XLogP of 18.71, 32 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-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;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methane is sourced from PubChem (CID 158598620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).