5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C68H57F3N10O8S2 — CID 138645524

IUPAC5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C(C)Cc3cc(F)c4cc5n(c4c3)CCc3ccc(-c4cc6c(C(=O)NC)c(-c7cnc(C)c(F)c7)oc6cc4N(C)S(C)(=O)=O)nc3-5)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
InChIInChI=1S/C68H57F3N10O8S2/c1-34(50-15-14-39(32-75-50)65-61(67(82)72-3)45-26-43(54(30-59(45)88-65)78(5)90(7,84)85)51-16-12-37-18-20-80-53-11-9-10-47(69)41(53)28-57(80)63(37)76-51)22-36-23-49(71)42-29-58-64-38(19-21-81(58)56(42)24-36)13-17-52(77-64)44-27-46-60(31-55(44)79(6)91(8,86)87)89-66(62(46)68(83)73-4)40-25-48(70)35(2)74-33-40/h9-17,23-34H,18-22H2,1-8H3,(H,72,82)(H,73,83)
InChIKeyXIENWRRJDQDRRH-UHFFFAOYSA-N
MW1263.39 g/mol
LogP12.37
Rot. Bonds13

About 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-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-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 138645524) has the molecular formula C68H57F3N10O8S2 and a molecular weight of 1263.39 g/mol. Its IUPAC name is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-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-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID138645524
Molecular FormulaC68H57F3N10O8S2
Molecular Weight1263.39 g/mol
Exact Mass1262.38
IUPAC Name5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C(C)Cc3cc(F)c4cc5n(c4c3)CCc3ccc(-c4cc6c(C(=O)NC)c(-c7cnc(C)c(F)c7)oc6cc4N(C)S(C)(=O)=O)nc3-5)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
InChIInChI=1S/C68H57F3N10O8S2/c1-34(50-15-14-39(32-75-50)65-61(67(82)72-3)45-26-43(54(30-59(45)88-65)78(5)90(7,84)85)51-16-12-37-18-20-80-53-11-9-10-47(69)41(53)28-57(80)63(37)76-51)22-36-23-49(71)42-29-58-64-38(19-21-81(58)56(42)24-36)13-17-52(77-64)44-27-46-60(31-55(44)79(6)91(8,86)87)89-66(62(46)68(83)73-4)40-25-48(70)35(2)74-33-40/h9-17,23-34H,18-22H2,1-8H3,(H,72,82)(H,73,83)
InChIKeyXIENWRRJDQDRRH-UHFFFAOYSA-N
XLogP12.37
TPSA220.66 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001263.39
LogP ≤ 512.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-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-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-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-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 138645524) is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-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-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-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-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C(C)Cc3cc(F)c4cc5n(c4c3)CCc3ccc(-c4cc6c(C(=O)NC)c(-c7cnc(C)c(F)c7)oc6cc4N(C)S(C)(=O)=O)nc3-5)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.
What is the InChIKey of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is XIENWRRJDQDRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H57F3N10O8S2/c1-34(50-15-14-39(32-75-50)65-61(67(82)72-3)45-26-43(54(30-59(45)88-65)78(5)90(7,84)85)51-16-12-37-18-20-80-53-11-9-10-47(69)41(53)28-57(80)63(37)76-51)22-36-23-49(71)42-29-58-64-38(19-21-81(58)56(42)24-36)13-17-52(77-64)44-27-46-60(31-55(44)79(6)91(8,86)87)89-66(62(46)68(83)73-4)40-25-48(70)35(2)74-33-40/h9-17,23-34H,18-22H2,1-8H3,(H,72,82)(H,73,83).
What are the key properties of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-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-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 1263.39 g/mol, XLogP of 12.37, 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-[6-[1-[11-fluoro-2-[2-(5-fluoro-6-methyl-3-pyridinyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]propan-2-yl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 138645524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).