N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C82H86Cl3F7N12O15S — CID 157453006

About N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 157453006) has the molecular formula C82H86Cl3F7N12O15S and a molecular weight of 1751.07 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 157453006
• Molecular Formula: C82H86Cl3F7N12O15S
• Molecular Weight: 1751.07 g/mol
• Exact Mass: 1748.50
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: Cc1c(C(=O)C(=O)NC2(CN3CC4(COC4)C3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(=O)N4CCC45COC5)CC(F)(F)C3)c3n2CCC3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(=O)NC4(C)CS(=O)(=O)C4)CC(F)(F)C3)c3n2CCC3)cc1Cl
• InChI: InChI=1S/C28H29ClF2N4O5.C27H28ClF3N4O4.C27H29ClF2N4O6S/c1-15-5-6-17(10-18(15)29)32-23(37)21-16(2)20(19-4-3-8-34(19)21)22(36)24(38)33-27(11-28(30,31)12-27)25(39)35-9-7-26(35)13-40-14-26;1-15-20(19-3-2-6-35(19)21(15)23(37)32-16-4-5-18(29)17(28)7-16)22(36)24(38)33-26(8-27(30,31)9-26)12-34-10-25(11-34)13-39-14-25;1-14-6-7-16(9-17(14)28)31-22(36)20-15(2)19(18-5-4-8-34(18)20)21(35)23(37)32-26(10-27(29,30)11-26)24(38)33-25(3)12-41(39,40)13-25/h5-6,10H,3-4,7-9,11-14H2,1-2H3,(H,32,37)(H,33,38);4-5,7H,2-3,6,8-14H2,1H3,(H,32,37)(H,33,38);6-7,9H,4-5,8,10-13H2,1-3H3,(H,31,36)(H,32,37)(H,33,38)
• InChIKey: BTAAQSJUAMDGAX-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 345.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1751.07
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 157453006) is N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is Cc1c(C(=O)C(=O)NC2(CN3CC4(COC4)C3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(=O)N4CCC45COC5)CC(F)(F)C3)c3n2CCC3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(=O)NC4(C)CS(=O)(=O)C4)CC(F)(F)C3)c3n2CCC3)cc1Cl.

What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is BTAAQSJUAMDGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClF2N4O5.C27H28ClF3N4O4.C27H29ClF2N4O6S/c1-15-5-6-17(10-18(15)29)32-23(37)21-16(2)20(19-4-3-8-34(19)21)22(36)24(38)33-27(11-28(30,31)12-27)25(39)35-9-7-26(35)13-40-14-26;1-15-20(19-3-2-6-35(19)21(15)23(37)32-16-4-5-18(29)17(28)7-16)22(36)24(38)33-26(8-27(30,31)9-26)12-34-10-25(11-34)13-39-14-25;1-14-6-7-16(9-17(14)28)31-22(36)20-15(2)19(18-5-4-8-34(18)20)21(35)23(37)32-26(10-27(29,30)11-26)24(38)33-25(3)12-41(39,40)13-25/h5-6,10H,3-4,7-9,11-14H2,1-2H3,(H,32,37)(H,33,38);4-5,7H,2-3,6,8-14H2,1H3,(H,32,37)(H,33,38);6-7,9H,4-5,8,10-13H2,1-3H3,(H,31,36)(H,32,37)(H,33,38).

What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 1751.07 g/mol, XLogP of 9.74, 20 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-[(3-methyl-1,1-dioxothietan-3-yl)carbamoyl]cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 157453006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).