2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide

C196H162F9N31O34S6 — CID 159455695

IUPAC2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC(C)C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OCC(C)(F)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2cnc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12
InChIInChI=1S/C34H28F3N5O6S.C34H30FN5O6S.C33H27F2N5O5S.C32H26FN5O6S.C32H26FN5O5S.C31H25FN6O6S/c1-34(36,37)16-46-29-11-8-18(15-39-29)32-30(33(43)38-2)21-12-20(25(14-28(21)48-32)41(3)49(4,44)45)23-9-10-27-31(40-23)26-13-19-22(35)6-5-7-24(19)42(26)17-47-27;1-18(2)45-30-12-9-19(16-37-30)33-31(34(41)36-3)22-13-21(26(15-29(22)46-33)39(4)47(5,42)43)24-10-11-28-32(38-24)27-14-20-23(35)7-6-8-25(20)40(27)17-44-28;1-17(34)23-9-8-18(15-37-23)32-30(33(41)36-2)21-12-20(26(14-29(21)45-32)39(3)46(4,42)43)24-10-11-28-31(38-24)27-13-19-22(35)6-5-7-25(19)40(27)16-44-28;1-34-32(39)29-20-12-19(22-9-10-26-30(36-22)25-13-18-21(33)6-5-7-23(18)38(25)16-43-26)24(37(2)45(4,40)41)14-27(20)44-31(29)17-8-11-28(42-3)35-15-17;1-17-8-9-18(15-35-17)31-29(32(39)34-2)21-12-20(25(14-28(21)43-31)37(3)44(4,40)41)23-10-11-27-30(36-23)26-13-19-22(33)6-5-7-24(19)38(26)16-42-27;1-33-30(39)27-19-10-18(21-8-9-25-28(36-21)24-11-17-20(32)6-5-7-22(17)38(24)15-43-25)23(37(2)45(4,40)41)12-26(19)44-29(27)16-13-34-31(42-3)35-14-16/h5-15H,16-17H2,1-4H3,(H,38,43);6-16,18H,17H2,1-5H3,(H,36,41);5-15,17H,16H2,1-4H3,(H,36,41);5-15H,16H2,1-4H3,(H,34,39);5-15H,16H2,1-4H3,(H,34,39);5-14H,15H2,1-4H3,(H,33,39)
InChIKeyLTYDCLGCZCPOPD-UHFFFAOYSA-N
MW3859.02 g/mol
LogP35.11
Rot. Bonds38

About 2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide

2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide (PubChem CID 159455695) has the molecular formula C196H162F9N31O34S6 and a molecular weight of 3859.02 g/mol. Its IUPAC name is 2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide
PubChem CID159455695
Molecular FormulaC196H162F9N31O34S6
Molecular Weight3859.02 g/mol
Exact Mass3856.01
IUPAC Name2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC(C)C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OCC(C)(F)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2cnc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12
InChIInChI=1S/C34H28F3N5O6S.C34H30FN5O6S.C33H27F2N5O5S.C32H26FN5O6S.C32H26FN5O5S.C31H25FN6O6S/c1-34(36,37)16-46-29-11-8-18(15-39-29)32-30(33(43)38-2)21-12-20(25(14-28(21)48-32)41(3)49(4,44)45)23-9-10-27-31(40-23)26-13-19-22(35)6-5-7-24(19)42(26)17-47-27;1-18(2)45-30-12-9-19(16-37-30)33-31(34(41)36-3)22-13-21(26(15-29(22)46-33)39(4)47(5,42)43)24-10-11-28-32(38-24)27-14-20-23(35)7-6-8-25(20)40(27)17-44-28;1-17(34)23-9-8-18(15-37-23)32-30(33(41)36-2)21-12-20(26(14-29(21)45-32)39(3)46(4,42)43)24-10-11-28-31(38-24)27-13-19-22(35)6-5-7-25(19)40(27)16-44-28;1-34-32(39)29-20-12-19(22-9-10-26-30(36-22)25-13-18-21(33)6-5-7-23(18)38(25)16-43-26)24(37(2)45(4,40)41)14-27(20)44-31(29)17-8-11-28(42-3)35-15-17;1-17-8-9-18(15-35-17)31-29(32(39)34-2)21-12-20(25(14-28(21)43-31)37(3)44(4,40)41)23-10-11-27-30(36-23)26-13-19-22(33)6-5-7-24(19)38(26)16-42-27;1-33-30(39)27-19-10-18(21-8-9-25-28(36-21)24-11-17-20(32)6-5-7-22(17)38(24)15-43-25)23(37(2)45(4,40)41)12-26(19)44-29(27)16-13-34-31(42-3)35-14-16/h5-15H,16-17H2,1-4H3,(H,38,43);6-16,18H,17H2,1-5H3,(H,36,41);5-15,17H,16H2,1-4H3,(H,36,41);5-15H,16H2,1-4H3,(H,34,39);5-15H,16H2,1-4H3,(H,34,39);5-14H,15H2,1-4H3,(H,33,39)
InChIKeyLTYDCLGCZCPOPD-UHFFFAOYSA-N
XLogP35.11
TPSA767.17 Ų
H-Bond Donors6
H-Bond Acceptors53
Rotatable Bonds38
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003859.02
LogP ≤ 535.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1053

Analyze 2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide with MolForge

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What is the IUPAC name of 2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide (CID 159455695) is 2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC(C)C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OCC(C)(F)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2cnc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.
What is the InChIKey of 2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide?
The InChIKey is LTYDCLGCZCPOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F3N5O6S.C34H30FN5O6S.C33H27F2N5O5S.C32H26FN5O6S.C32H26FN5O5S.C31H25FN6O6S/c1-34(36,37)16-46-29-11-8-18(15-39-29)32-30(33(43)38-2)21-12-20(25(14-28(21)48-32)41(3)49(4,44)45)23-9-10-27-31(40-23)26-13-19-22(35)6-5-7-24(19)42(26)17-47-27;1-18(2)45-30-12-9-19(16-37-30)33-31(34(41)36-3)22-13-21(26(15-29(22)46-33)39(4)47(5,42)43)24-10-11-28-32(38-24)27-14-20-23(35)7-6-8-25(20)40(27)17-44-28;1-17(34)23-9-8-18(15-37-23)32-30(33(41)36-2)21-12-20(26(14-29(21)45-32)39(3)46(4,42)43)24-10-11-28-31(38-24)27-13-19-22(35)6-5-7-25(19)40(27)16-44-28;1-34-32(39)29-20-12-19(22-9-10-26-30(36-22)25-13-18-21(33)6-5-7-23(18)38(25)16-43-26)24(37(2)45(4,40)41)14-27(20)44-31(29)17-8-11-28(42-3)35-15-17;1-17-8-9-18(15-35-17)31-29(32(39)34-2)21-12-20(25(14-28(21)43-31)37(3)44(4,40)41)23-10-11-27-30(36-23)26-13-19-22(33)6-5-7-24(19)38(26)16-42-27;1-33-30(39)27-19-10-18(21-8-9-25-28(36-21)24-11-17-20(32)6-5-7-22(17)38(24)15-43-25)23(37(2)45(4,40)41)12-26(19)44-29(27)16-13-34-31(42-3)35-14-16/h5-15H,16-17H2,1-4H3,(H,38,43);6-16,18H,17H2,1-5H3,(H,36,41);5-15,17H,16H2,1-4H3,(H,36,41);5-15H,16H2,1-4H3,(H,34,39);5-15H,16H2,1-4H3,(H,34,39);5-14H,15H2,1-4H3,(H,33,39).
What are the key properties of 2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide?
2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide has a molecular weight of 3859.02 g/mol, XLogP of 35.11, 38 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethyl)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(2-methoxypyrimidin-5-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 159455695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).