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

C119H121F13N24O19 — CID 159602999

IUPAC3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
SMILESCNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3cc(F)c(C)c(F)c3)c3n2CCC3)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)F)c3)c3n2CCC3)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)c3n2CCC3)COC1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1F
InChIInChI=1S/C25H26F4N4O4.C24H24F4N4O4.C24H23F3N6O3.C23H23FN6O3.C23H25FN4O5/c1-12-6-7-14(9-15(12)20(26)27)31-21(35)17-13(2)18(33-8-4-5-16(17)33)19(34)22(36)32-24(23(37)30-3)10-25(28,29)11-24;1-11-14(25)7-13(8-15(11)26)30-20(34)17-12(2)18(32-6-4-5-16(17)32)19(33)21(35)31-23(22(36)29-3)9-24(27,28)10-23;1-12-5-6-14(8-15(12)25)29-21(35)18-13(2)19(33-7-3-4-16(18)33)20(34)22(36)30-23(10-24(26,27)11-23)17-9-28-32-31-17;1-12-5-6-14(10-15(12)24)26-21(32)18-13(2)19(30-9-3-4-16(18)30)20(31)22(33)27-23(7-8-23)17-11-25-29-28-17;1-12-6-7-14(9-15(12)24)26-20(30)17-13(2)18(28-8-4-5-16(17)28)19(29)21(31)27-23(10-33-11-23)22(32)25-3/h6-7,9,20H,4-5,8,10-11H2,1-3H3,(H,30,37)(H,31,35)(H,32,36);7-8H,4-6,9-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,29,35)(H,30,36)(H,28,31,32);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29);6-7,9H,4-5,8,10-11H2,1-3H3,(H,25,32)(H,26,30)(H,27,31)
InChIKeyMLSKIYRGMRFKRP-UHFFFAOYSA-N
MW2438.40 g/mol
LogP13.24
Rot. Bonds31

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

3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 159602999) has the molecular formula C119H121F13N24O19 and a molecular weight of 2438.40 g/mol. Its IUPAC name is 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound Name3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
PubChem CID159602999
Molecular FormulaC119H121F13N24O19
Molecular Weight2438.40 g/mol
Exact Mass2436.90
IUPAC Name3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
SMILESCNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3cc(F)c(C)c(F)c3)c3n2CCC3)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)F)c3)c3n2CCC3)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)c3n2CCC3)COC1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1F
InChIInChI=1S/C25H26F4N4O4.C24H24F4N4O4.C24H23F3N6O3.C23H23FN6O3.C23H25FN4O5/c1-12-6-7-14(9-15(12)20(26)27)31-21(35)17-13(2)18(33-8-4-5-16(17)33)19(34)22(36)32-24(23(37)30-3)10-25(28,29)11-24;1-11-14(25)7-13(8-15(11)26)30-20(34)17-12(2)18(32-6-4-5-16(17)32)19(33)21(35)31-23(22(36)29-3)9-24(27,28)10-23;1-12-5-6-14(8-15(12)25)29-21(35)18-13(2)19(33-7-3-4-16(18)33)20(34)22(36)30-23(10-24(26,27)11-23)17-9-28-32-31-17;1-12-5-6-14(10-15(12)24)26-21(32)18-13(2)19(30-9-3-4-16(18)30)20(31)22(33)27-23(7-8-23)17-11-25-29-28-17;1-12-6-7-14(9-15(12)24)26-20(30)17-13(2)18(28-8-4-5-16(17)28)19(29)21(31)27-23(10-33-11-23)22(32)25-3/h6-7,9,20H,4-5,8,10-11H2,1-3H3,(H,30,37)(H,31,35)(H,32,36);7-8H,4-6,9-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,29,35)(H,30,36)(H,28,31,32);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29);6-7,9H,4-5,8,10-11H2,1-3H3,(H,25,32)(H,26,30)(H,27,31)
InChIKeyMLSKIYRGMRFKRP-UHFFFAOYSA-N
XLogP13.24
TPSA580.67 Ų
H-Bond Donors15
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms175
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002438.40
LogP ≤ 513.24
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-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 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The IUPAC name of 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 159602999) is 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide.
What is the SMILES notation for 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The canonical SMILES for 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3cc(F)c(C)c(F)c3)c3n2CCC3)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)F)c3)c3n2CCC3)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)c3n2CCC3)COC1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1F.
What is the InChIKey of 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The InChIKey is MLSKIYRGMRFKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N4O4.C24H24F4N4O4.C24H23F3N6O3.C23H23FN6O3.C23H25FN4O5/c1-12-6-7-14(9-15(12)20(26)27)31-21(35)17-13(2)18(33-8-4-5-16(17)33)19(34)22(36)32-24(23(37)30-3)10-25(28,29)11-24;1-11-14(25)7-13(8-15(11)26)30-20(34)17-12(2)18(32-6-4-5-16(17)32)19(33)21(35)31-23(22(36)29-3)9-24(27,28)10-23;1-12-5-6-14(8-15(12)25)29-21(35)18-13(2)19(33-7-3-4-16(18)33)20(34)22(36)30-23(10-24(26,27)11-23)17-9-28-32-31-17;1-12-5-6-14(10-15(12)24)26-21(32)18-13(2)19(30-9-3-4-16(18)30)20(31)22(33)27-23(7-8-23)17-11-25-29-28-17;1-12-6-7-14(9-15(12)24)26-20(30)17-13(2)18(28-8-4-5-16(17)28)19(29)21(31)27-23(10-33-11-23)22(32)25-3/h6-7,9,20H,4-5,8,10-11H2,1-3H3,(H,30,37)(H,31,35)(H,32,36);7-8H,4-6,9-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,29,35)(H,30,36)(H,28,31,32);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29);6-7,9H,4-5,8,10-11H2,1-3H3,(H,25,32)(H,26,30)(H,27,31).
What are the key properties of 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 2438.40 g/mol, XLogP of 13.24, 31 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-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-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 159602999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).