5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C117H101F6N19O16S3 — CID 123140602

IUPAC5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(CS(=O)(=O)N(C)c4cc5oc(-c6ccc(F)cc6)c(C(=O)NC)c5cc4-c4cc(CS(=O)(=O)N(C)c5cc6oc(-c7ccc(F)cc7)c(C(=O)NC)c6cc5-c5ccc6nc(CN7C(C)COCC7C)n7c8cccc(F)c8cc7c6n5)c5nc(CN6CC(C(C)(C)O)C6)n6c7cccc(F)c7cc6c5n4)c4nc(CN5CCN6C(=O)OCC6C5)n5c6cccc(F)c6cc5c4n3)cc12
InChIInChI=1S/C117H101F6N19O16S3/c1-59-54-154-55-60(2)139(59)53-101-127-84-34-33-83(128-107(84)93-42-71-80(121)15-12-18-87(71)140(93)101)74-39-77-97(157-110(102(77)113(143)124-5)61-21-27-67(118)28-22-61)46-91(74)134(9)160(150,151)57-65-38-86(130-109-95-44-73-82(123)17-14-20-89(73)142(95)100(132-106(65)109)52-137-48-66(49-137)117(3,4)147)76-41-79-98(158-112(104(79)115(145)126-7)63-25-31-69(120)32-26-63)47-92(76)135(10)161(152,153)58-64-37-85(75-40-78-96(45-90(75)133(8)159(11,148)149)156-111(103(78)114(144)125-6)62-23-29-68(119)30-24-62)129-108-94-43-72-81(122)16-13-19-88(72)141(94)99(131-105(64)108)51-136-35-36-138-70(50-136)56-155-116(138)146/h12-34,37-47,59-60,66,70,147H,35-36,48-58H2,1-11H3,(H,124,143)(H,125,144)(H,126,145)
InChIKeyHUDAJYMRKYAKTF-UHFFFAOYSA-N
MW2239.40 g/mol
LogP18.66
Rot. Bonds26

About 5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 123140602) has the molecular formula C117H101F6N19O16S3 and a molecular weight of 2239.40 g/mol. Its IUPAC name is 5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
PubChem CID123140602
Molecular FormulaC117H101F6N19O16S3
Molecular Weight2239.40 g/mol
Exact Mass2237.67
IUPAC Name5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(CS(=O)(=O)N(C)c4cc5oc(-c6ccc(F)cc6)c(C(=O)NC)c5cc4-c4cc(CS(=O)(=O)N(C)c5cc6oc(-c7ccc(F)cc7)c(C(=O)NC)c6cc5-c5ccc6nc(CN7C(C)COCC7C)n7c8cccc(F)c8cc7c6n5)c5nc(CN6CC(C(C)(C)O)C6)n6c7cccc(F)c7cc6c5n4)c4nc(CN5CCN6C(=O)OCC6C5)n5c6cccc(F)c6cc5c4n3)cc12
InChIInChI=1S/C117H101F6N19O16S3/c1-59-54-154-55-60(2)139(59)53-101-127-84-34-33-83(128-107(84)93-42-71-80(121)15-12-18-87(71)140(93)101)74-39-77-97(157-110(102(77)113(143)124-5)61-21-27-67(118)28-22-61)46-91(74)134(9)160(150,151)57-65-38-86(130-109-95-44-73-82(123)17-14-20-89(73)142(95)100(132-106(65)109)52-137-48-66(49-137)117(3,4)147)76-41-79-98(158-112(104(79)115(145)126-7)63-25-31-69(120)32-26-63)47-92(76)135(10)161(152,153)58-64-37-85(75-40-78-96(45-90(75)133(8)159(11,148)149)156-111(103(78)114(144)125-6)62-23-29-68(119)30-24-62)129-108-94-43-72-81(122)16-13-19-88(72)141(94)99(131-105(64)108)51-136-35-36-138-70(50-136)56-155-116(138)146/h12-34,37-47,59-60,66,70,147H,35-36,48-58H2,1-11H3,(H,124,143)(H,125,144)(H,126,145)
InChIKeyHUDAJYMRKYAKTF-UHFFFAOYSA-N
XLogP18.66
TPSA398.15 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002239.40
LogP ≤ 518.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 123140602) is 5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(CS(=O)(=O)N(C)c4cc5oc(-c6ccc(F)cc6)c(C(=O)NC)c5cc4-c4cc(CS(=O)(=O)N(C)c5cc6oc(-c7ccc(F)cc7)c(C(=O)NC)c6cc5-c5ccc6nc(CN7C(C)COCC7C)n7c8cccc(F)c8cc7c6n5)c5nc(CN6CC(C(C)(C)O)C6)n6c7cccc(F)c7cc6c5n4)c4nc(CN5CCN6C(=O)OCC6C5)n5c6cccc(F)c6cc5c4n3)cc12.
What is the InChIKey of 5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is HUDAJYMRKYAKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H101F6N19O16S3/c1-59-54-154-55-60(2)139(59)53-101-127-84-34-33-83(128-107(84)93-42-71-80(121)15-12-18-87(71)140(93)101)74-39-77-97(157-110(102(77)113(143)124-5)61-21-27-67(118)28-22-61)46-91(74)134(9)160(150,151)57-65-38-86(130-109-95-44-73-82(123)17-14-20-89(73)142(95)100(132-106(65)109)52-137-48-66(49-137)117(3,4)147)76-41-79-98(158-112(104(79)115(145)126-7)63-25-31-69(120)32-26-63)47-92(76)135(10)161(152,153)58-64-37-85(75-40-78-96(45-90(75)133(8)159(11,148)149)156-111(103(78)114(144)125-6)62-23-29-68(119)30-24-62)129-108-94-43-72-81(122)16-13-19-88(72)141(94)99(131-105(64)108)51-136-35-36-138-70(50-136)56-155-116(138)146/h12-34,37-47,59-60,66,70,147H,35-36,48-58H2,1-11H3,(H,124,143)(H,125,144)(H,126,145).
What are the key properties of 5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 2239.40 g/mol, XLogP of 18.66, 26 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[(3,5-dimethylmorpholin-4-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-6-[[15-fluoro-4-[6-[[15-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-9-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-9-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-6-yl]methylsulfonyl-methylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 123140602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).