5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C66H54F3N9O8S3 — CID 123737042

IUPAC5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)n3c-4cc4c(F)cc(CCc5ncc(-c6oc7cc(N(C)S(C)(=O)=O)c(-c8ccc9c(n8)-c8cc%10c(F)cccc%10n8CC9)cc7c6C(=O)NC)s5)cc43)cc12
InChIInChI=1S/C66H54F3N9O8S3/c1-33-21-37-31-72-49(43-25-44-56(30-52(43)76(5)89(7,83)84)85-63(60(44)65(79)70-2)36-12-15-38(67)16-13-36)26-39(37)54-27-41-47(69)22-34(23-53(41)78(33)54)11-18-59-73-32-58(87-59)64-61(66(80)71-3)45-24-42(51(29-57(45)86-64)75(4)88(6,81)82)48-17-14-35-19-20-77-50-10-8-9-46(68)40(50)28-55(77)62(35)74-48/h8-10,12-17,22-33H,11,18-21H2,1-7H3,(H,70,79)(H,71,80)
InChIKeyGLGPGDMOLFHSCS-UHFFFAOYSA-N
MW1254.41 g/mol
LogP12.72
Rot. Bonds13

About 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 123737042) has the molecular formula C66H54F3N9O8S3 and a molecular weight of 1254.41 g/mol. Its IUPAC name is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID123737042
Molecular FormulaC66H54F3N9O8S3
Molecular Weight1254.41 g/mol
Exact Mass1253.32
IUPAC Name5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)n3c-4cc4c(F)cc(CCc5ncc(-c6oc7cc(N(C)S(C)(=O)=O)c(-c8ccc9c(n8)-c8cc%10c(F)cccc%10n8CC9)cc7c6C(=O)NC)s5)cc43)cc12
InChIInChI=1S/C66H54F3N9O8S3/c1-33-21-37-31-72-49(43-25-44-56(30-52(43)76(5)89(7,83)84)85-63(60(44)65(79)70-2)36-12-15-38(67)16-13-36)26-39(37)54-27-41-47(69)22-34(23-53(41)78(33)54)11-18-59-73-32-58(87-59)64-61(66(80)71-3)45-24-42(51(29-57(45)86-64)75(4)88(6,81)82)48-17-14-35-19-20-77-50-10-8-9-46(68)40(50)28-55(77)62(35)74-48/h8-10,12-17,22-33H,11,18-21H2,1-7H3,(H,70,79)(H,71,80)
InChIKeyGLGPGDMOLFHSCS-UHFFFAOYSA-N
XLogP12.72
TPSA207.77 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001254.41
LogP ≤ 512.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 123737042) is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)n3c-4cc4c(F)cc(CCc5ncc(-c6oc7cc(N(C)S(C)(=O)=O)c(-c8ccc9c(n8)-c8cc%10c(F)cccc%10n8CC9)cc7c6C(=O)NC)s5)cc43)cc12.
What is the InChIKey of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is GLGPGDMOLFHSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54F3N9O8S3/c1-33-21-37-31-72-49(43-25-44-56(30-52(43)76(5)89(7,83)84)85-63(60(44)65(79)70-2)36-12-15-38(67)16-13-36)26-39(37)54-27-41-47(69)22-34(23-53(41)78(33)54)11-18-59-73-32-58(87-59)64-61(66(80)71-3)45-24-42(51(29-57(45)86-64)75(4)88(6,81)82)48-17-14-35-19-20-77-50-10-8-9-46(68)40(50)28-55(77)62(35)74-48/h8-10,12-17,22-33H,11,18-21H2,1-7H3,(H,70,79)(H,71,80).
What are the key properties of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 1254.41 g/mol, XLogP of 12.72, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[2-[2-[11-fluoro-2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-9-yl]ethyl]-1,3-thiazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 123737042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).