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

C68H56F2N10O8S2 — CID 138645411

IUPAC5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C3CC3c3cc(F)c4cc5n(c4c3)CCc3ccc(-c4cc6c(C(=O)NC)c(-c7ccc(C)nc7)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/C68H56F2N10O8S2/c1-34-11-12-37(32-73-34)65-61(67(81)71-2)46-26-45(54(30-59(46)87-65)77(4)89(6,83)84)52-18-14-36-20-22-80-56-24-39(23-49(70)43(56)29-58(80)64(36)76-52)40-25-41(40)50-16-15-38(33-74-50)66-62(68(82)72-3)47-27-44(55(31-60(47)88-66)78(5)90(7,85)86)51-17-13-35-19-21-79-53-10-8-9-48(69)42(53)28-57(79)63(35)75-51/h8-18,23-24,26-33,40-41H,19-22,25H2,1-7H3,(H,71,81)(H,72,82)
InChIKeyNDLYZQUOUNQYTE-UHFFFAOYSA-N
MW1243.39 g/mol
LogP12.15
Rot. Bonds12

About 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-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-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 138645411) has the molecular formula C68H56F2N10O8S2 and a molecular weight of 1243.39 g/mol. Its IUPAC name is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-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-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID138645411
Molecular FormulaC68H56F2N10O8S2
Molecular Weight1243.39 g/mol
Exact Mass1242.37
IUPAC Name5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C3CC3c3cc(F)c4cc5n(c4c3)CCc3ccc(-c4cc6c(C(=O)NC)c(-c7ccc(C)nc7)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/C68H56F2N10O8S2/c1-34-11-12-37(32-73-34)65-61(67(81)71-2)46-26-45(54(30-59(46)87-65)77(4)89(6,83)84)52-18-14-36-20-22-80-56-24-39(23-49(70)43(56)29-58(80)64(36)76-52)40-25-41(40)50-16-15-38(33-74-50)66-62(68(82)72-3)47-27-44(55(31-60(47)88-66)78(5)90(7,85)86)51-17-13-35-19-21-79-53-10-8-9-48(69)42(53)28-57(79)63(35)75-51/h8-18,23-24,26-33,40-41H,19-22,25H2,1-7H3,(H,71,81)(H,72,82)
InChIKeyNDLYZQUOUNQYTE-UHFFFAOYSA-N
XLogP12.15
TPSA220.66 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001243.39
LogP ≤ 512.15
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-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-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-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-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-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 138645411) is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-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-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-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-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C3CC3c3cc(F)c4cc5n(c4c3)CCc3ccc(-c4cc6c(C(=O)NC)c(-c7ccc(C)nc7)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-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is NDLYZQUOUNQYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H56F2N10O8S2/c1-34-11-12-37(32-73-34)65-61(67(81)71-2)46-26-45(54(30-59(46)87-65)77(4)89(6,83)84)52-18-14-36-20-22-80-56-24-39(23-49(70)43(56)29-58(80)64(36)76-52)40-25-41(40)50-16-15-38(33-74-50)66-62(68(82)72-3)47-27-44(55(31-60(47)88-66)78(5)90(7,85)86)51-17-13-35-19-21-79-53-10-8-9-48(69)42(53)28-57(79)63(35)75-51/h8-18,23-24,26-33,40-41H,19-22,25H2,1-7H3,(H,71,81)(H,72,82).
What are the key properties of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-[6-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-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-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 1243.39 g/mol, XLogP of 12.15, 12 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-[2-[11-fluoro-2-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-9-yl]cyclopropyl]-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 138645411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).