28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione

C63H75FN8O11S2 — CID 143923214

IUPAC28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione
SMILESCOC1=CC2C=C3Cn4c(c(C5CCC(CN6CCOCCN(C)S(=O)(=O)NC(=O)c7ccc8c(C9CCCCC9)c9n(c8c7)CC(=CC7C=C(F)C=CC97)C6=O)CC5)c5ccc(cc54)C(=O)NS(=O)(=O)N(C)CCOCCN(C)C3=O)C2C=C1
InChIInChI=1S/C63H75FN8O11S2/c1-67-22-26-82-27-23-68(2)84(77,78)65-61(74)43-15-19-53-55(35-43)71-37-46(62(67)75)31-45-33-49(81-4)17-21-51(45)59(71)57(53)41-12-10-39(11-13-41)36-70-25-29-83-28-24-69(3)85(79,80)66-60(73)42-14-18-52-54(34-42)72-38-47(63(70)76)30-44-32-48(64)16-20-50(44)58(72)56(52)40-8-6-5-7-9-40/h14-21,30-35,39-41,44-45,50-51H,5-13,22-29,36-38H2,1-4H3,(H,65,74)(H,66,73)
InChIKeyYKICEYLPUAZZMU-UHFFFAOYSA-N
MW1203.47 g/mol
LogP7.58
Rot. Bonds5

About 28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione

28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione (PubChem CID 143923214) has the molecular formula C63H75FN8O11S2 and a molecular weight of 1203.47 g/mol. Its IUPAC name is 28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione.

Molecular Properties

Compound Name28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione
PubChem CID143923214
Molecular FormulaC63H75FN8O11S2
Molecular Weight1203.47 g/mol
Exact Mass1202.50
IUPAC Name28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione
SMILESCOC1=CC2C=C3Cn4c(c(C5CCC(CN6CCOCCN(C)S(=O)(=O)NC(=O)c7ccc8c(C9CCCCC9)c9n(c8c7)CC(=CC7C=C(F)C=CC97)C6=O)CC5)c5ccc(cc54)C(=O)NS(=O)(=O)N(C)CCOCCN(C)C3=O)C2C=C1
InChIInChI=1S/C63H75FN8O11S2/c1-67-22-26-82-27-23-68(2)84(77,78)65-61(74)43-15-19-53-55(35-43)71-37-46(62(67)75)31-45-33-49(81-4)17-21-51(45)59(71)57(53)41-12-10-39(11-13-41)36-70-25-29-83-28-24-69(3)85(79,80)66-60(73)42-14-18-52-54(34-42)72-38-47(63(70)76)30-44-32-48(64)16-20-50(44)58(72)56(52)40-8-6-5-7-9-40/h14-21,30-35,39-41,44-45,50-51H,5-13,22-29,36-38H2,1-4H3,(H,65,74)(H,66,73)
InChIKeyYKICEYLPUAZZMU-UHFFFAOYSA-N
XLogP7.58
TPSA211.13 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.47
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione with MolForge

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Related Compounds

13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 11657104
28-Cyclohexyl-22-fluoro-10,16-dimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione
CID 44608453
28-Cyclohexyl-22-fluoro-10,16,19-trimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione
CID 44608451
29-Cyclohexyl-23-fluoro-10,16-dimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[17.8.1.12,6.13,27.021,26]triaconta-2,4,6(30),19,21(26),22,24,27(29)-octaene-7,18-dione
CID 71595361
13-cyclohexyl-6-(morpholine-4-carbonyl)-N-(trifluoromethylsulfonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 16666571
13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 16666917
13-cyclohexyl-N-morpholin-4-ylsulfonyl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57526401
13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-[(3R)-3-fluoropyrrolidin-1-yl]piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57526535
13-cyclohexyl-N-(dimethylsulfamoyl)-6-[(3R)-3-fluoropyrrolidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57526599
13-cyclohexyl-N-(dimethylsulfamoyl)-6-[(3S)-3-fluoropyrrolidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57526611
13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57526658
13-cyclohexyl-N-(dimethylsulfamoyl)-6-(3-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57526703

Frequently Asked Questions

What is the IUPAC name of 28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione?
The IUPAC name of 28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione (CID 143923214) is 28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione.
What is the SMILES notation for 28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione?
The canonical SMILES for 28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione is COC1=CC2C=C3Cn4c(c(C5CCC(CN6CCOCCN(C)S(=O)(=O)NC(=O)c7ccc8c(C9CCCCC9)c9n(c8c7)CC(=CC7C=C(F)C=CC97)C6=O)CC5)c5ccc(cc54)C(=O)NS(=O)(=O)N(C)CCOCCN(C)C3=O)C2C=C1.
What is the InChIKey of 28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione?
The InChIKey is YKICEYLPUAZZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H75FN8O11S2/c1-67-22-26-82-27-23-68(2)84(77,78)65-61(74)43-15-19-53-55(35-43)71-37-46(62(67)75)31-45-33-49(81-4)17-21-51(45)59(71)57(53)41-12-10-39(11-13-41)36-70-25-29-83-28-24-69(3)85(79,80)66-60(73)42-14-18-52-54(34-42)72-38-47(63(70)76)30-44-32-48(64)16-20-50(44)58(72)56(52)40-8-6-5-7-9-40/h14-21,30-35,39-41,44-45,50-51H,5-13,22-29,36-38H2,1-4H3,(H,65,74)(H,66,73).
What are the key properties of 28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione?
28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione has a molecular weight of 1203.47 g/mol, XLogP of 7.58, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 28-[4-[(28-cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione is sourced from PubChem (CID 143923214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).