(1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide

C179H178F12N24O37 — CID 159128080

IUPAC(1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
SMILESCc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC[C@@H](C4)O[C@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC[C@H](C4)O[C@@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC[C@H](C4)[C@@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC(C)[C@@H](C4)O[C@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC[C@@H](C4)O[C@H]2C3)c(F)c1F.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC[C@@H](C4)[C@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC(C)[C@H](C4)O[C@@H]2C3)c(F)c1.Cc1ccc([C@@H](C)NC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC[C@H](C4)[C@@H]2C3)c(F)c1
InChIInChI=1S/2C23H24FN3O5.C23H24FN3O4.3C22H21F2N3O5.C22H21F2N3O4.C22H22FN3O4/c2*1-11-3-4-13(16(24)5-11)8-25-22(30)15-9-26-10-18-27(14-6-12(2)17(7-14)32-18)23(31)19(26)21(29)20(15)28;1-11-3-6-15(17(24)7-11)12(2)25-22(30)16-9-26-10-18-13-4-5-14(8-13)27(18)23(31)19(26)21(29)20(16)28;2*1-10-4-15(23)13(16(24)5-10)7-25-21(30)14-8-26-9-17-27(11-2-3-12(6-11)32-17)22(31)18(26)20(29)19(14)28;1-10-2-3-11(17(24)16(10)23)7-25-21(30)14-8-26-9-15-27(12-4-5-13(6-12)32-15)22(31)18(26)20(29)19(14)28;1-10-4-15(23)13(16(24)5-10)7-25-21(30)14-8-26-9-17-11-2-3-12(6-11)27(17)22(31)18(26)20(29)19(14)28;1-11-2-3-13(16(23)6-11)8-24-21(29)15-9-25-10-17-12-4-5-14(7-12)26(17)22(30)18(25)20(28)19(15)27/h2*3-5,9,12,14,17-18,29H,6-8,10H2,1-2H3,(H,25,30);3,6-7,9,12-14,18,29H,4-5,8,10H2,1-2H3,(H,25,30);2*4-5,8,11-12,17,29H,2-3,6-7,9H2,1H3,(H,25,30);2-3,8,12-13,15,29H,4-7,9H2,1H3,(H,25,30);4-5,8,11-12,17,29H,2-3,6-7,9H2,1H3,(H,25,30);2-3,6,9,12,14,17,28H,4-5,7-8,10H2,1H3,(H,24,29)/t2*12?,14-,17-,18+;12-,13-,14+,18+;2*11-,12+,17+;12-,13+,15+;11-,12+,17+;12-,14+,17+/m10110110/s1
InChIKeyKGNKZCJIROYASD-VMAAMEFYSA-N
MW3485.50 g/mol
LogP15.75
Rot. Bonds24

About (1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide

(1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide (PubChem CID 159128080) has the molecular formula C179H178F12N24O37 and a molecular weight of 3485.50 g/mol. Its IUPAC name is (1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide.

Molecular Properties

Compound Name(1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
PubChem CID159128080
Molecular FormulaC179H178F12N24O37
Molecular Weight3485.50 g/mol
Exact Mass3483.26
IUPAC Name(1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
SMILESCc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC[C@@H](C4)O[C@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC[C@H](C4)O[C@@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC[C@H](C4)[C@@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC(C)[C@@H](C4)O[C@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC[C@@H](C4)O[C@H]2C3)c(F)c1F.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC[C@@H](C4)[C@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC(C)[C@H](C4)O[C@@H]2C3)c(F)c1.Cc1ccc([C@@H](C)NC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC[C@H](C4)[C@@H]2C3)c(F)c1
InChIInChI=1S/2C23H24FN3O5.C23H24FN3O4.3C22H21F2N3O5.C22H21F2N3O4.C22H22FN3O4/c2*1-11-3-4-13(16(24)5-11)8-25-22(30)15-9-26-10-18-27(14-6-12(2)17(7-14)32-18)23(31)19(26)21(29)20(15)28;1-11-3-6-15(17(24)7-11)12(2)25-22(30)16-9-26-10-18-13-4-5-14(8-13)27(18)23(31)19(26)21(29)20(16)28;2*1-10-4-15(23)13(16(24)5-10)7-25-21(30)14-8-26-9-17-27(11-2-3-12(6-11)32-17)22(31)18(26)20(29)19(14)28;1-10-2-3-11(17(24)16(10)23)7-25-21(30)14-8-26-9-15-27(12-4-5-13(6-12)32-15)22(31)18(26)20(29)19(14)28;1-10-4-15(23)13(16(24)5-10)7-25-21(30)14-8-26-9-17-11-2-3-12(6-11)27(17)22(31)18(26)20(29)19(14)28;1-11-2-3-13(16(23)6-11)8-24-21(29)15-9-25-10-17-12-4-5-14(7-12)26(17)22(30)18(25)20(28)19(15)27/h2*3-5,9,12,14,17-18,29H,6-8,10H2,1-2H3,(H,25,30);3,6-7,9,12-14,18,29H,4-5,8,10H2,1-2H3,(H,25,30);2*4-5,8,11-12,17,29H,2-3,6-7,9H2,1H3,(H,25,30);2-3,8,12-13,15,29H,4-7,9H2,1H3,(H,25,30);4-5,8,11-12,17,29H,2-3,6-7,9H2,1H3,(H,25,30);2-3,6,9,12,14,17,28H,4-5,7-8,10H2,1H3,(H,24,29)/t2*12?,14-,17-,18+;12-,13-,14+,18+;2*11-,12+,17+;12-,13+,15+;11-,12+,17+;12-,14+,17+/m10110110/s1
InChIKeyKGNKZCJIROYASD-VMAAMEFYSA-N
XLogP15.75
TPSA779.27 Ų
H-Bond Donors16
H-Bond Acceptors45
Rotatable Bonds24
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003485.50
LogP ≤ 515.75
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1045

Analyze (1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide?
The IUPAC name of (1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide (CID 159128080) is (1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide.
What is the SMILES notation for (1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide?
The canonical SMILES for (1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide is Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC[C@@H](C4)O[C@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC[C@H](C4)O[C@@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC[C@H](C4)[C@@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC(C)[C@@H](C4)O[C@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC[C@@H](C4)O[C@H]2C3)c(F)c1F.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4CC[C@@H](C4)[C@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC(C)[C@H](C4)O[C@@H]2C3)c(F)c1.Cc1ccc([C@@H](C)NC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@H]4CC[C@H](C4)[C@@H]2C3)c(F)c1.
What is the InChIKey of (1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide?
The InChIKey is KGNKZCJIROYASD-VMAAMEFYSA-N. The full InChI is InChI=1S/2C23H24FN3O5.C23H24FN3O4.3C22H21F2N3O5.C22H21F2N3O4.C22H22FN3O4/c2*1-11-3-4-13(16(24)5-11)8-25-22(30)15-9-26-10-18-27(14-6-12(2)17(7-14)32-18)23(31)19(26)21(29)20(15)28;1-11-3-6-15(17(24)7-11)12(2)25-22(30)16-9-26-10-18-13-4-5-14(8-13)27(18)23(31)19(26)21(29)20(16)28;2*1-10-4-15(23)13(16(24)5-10)7-25-21(30)14-8-26-9-17-27(11-2-3-12(6-11)32-17)22(31)18(26)20(29)19(14)28;1-10-2-3-11(17(24)16(10)23)7-25-21(30)14-8-26-9-15-27(12-4-5-13(6-12)32-15)22(31)18(26)20(29)19(14)28;1-10-4-15(23)13(16(24)5-10)7-25-21(30)14-8-26-9-17-11-2-3-12(6-11)27(17)22(31)18(26)20(29)19(14)28;1-11-2-3-13(16(23)6-11)8-24-21(29)15-9-25-10-17-12-4-5-14(7-12)26(17)22(30)18(25)20(28)19(15)27/h2*3-5,9,12,14,17-18,29H,6-8,10H2,1-2H3,(H,25,30);3,6-7,9,12-14,18,29H,4-5,8,10H2,1-2H3,(H,25,30);2*4-5,8,11-12,17,29H,2-3,6-7,9H2,1H3,(H,25,30);2-3,8,12-13,15,29H,4-7,9H2,1H3,(H,25,30);4-5,8,11-12,17,29H,2-3,6-7,9H2,1H3,(H,25,30);2-3,6,9,12,14,17,28H,4-5,7-8,10H2,1H3,(H,24,29)/t2*12?,14-,17-,18+;12-,13-,14+,18+;2*11-,12+,17+;12-,13+,15+;11-,12+,17+;12-,14+,17+/m10110110/s1.
What are the key properties of (1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide?
(1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide has a molecular weight of 3485.50 g/mol, XLogP of 15.75, 24 rotatable bonds, 16 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R,12R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1S,11R,12R)-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11S,12S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1S,11R,13S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11S,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide is sourced from PubChem (CID 159128080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).