2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C34H27FN4O4S — CID 90341032

IUPAC2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ccn5c6ccccc6c(C)c5c4n3)cc12
InChIInChI=1S/C34H27FN4O4S/c1-19-23-7-5-6-8-27(23)39-16-15-20-11-14-26(37-31(20)32(19)39)24-17-25-29(18-28(24)38(3)44(4,41)42)43-33(30(25)34(40)36-2)21-9-12-22(35)13-10-21/h5-18H,1-4H3,(H,36,40)
InChIKeyOZCGONGYEGDHFX-UHFFFAOYSA-N
MW606.68 g/mol
LogP6.92
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 90341032) has the molecular formula C34H27FN4O4S and a molecular weight of 606.68 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID90341032
Molecular FormulaC34H27FN4O4S
Molecular Weight606.68 g/mol
Exact Mass606.17
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ccn5c6ccccc6c(C)c5c4n3)cc12
InChIInChI=1S/C34H27FN4O4S/c1-19-23-7-5-6-8-27(23)39-16-15-20-11-14-26(37-31(20)32(19)39)24-17-25-29(18-28(24)38(3)44(4,41)42)43-33(30(25)34(40)36-2)21-9-12-22(35)13-10-21/h5-18H,1-4H3,(H,36,40)
InChIKeyOZCGONGYEGDHFX-UHFFFAOYSA-N
XLogP6.92
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.68
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 90341032) is 2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ccn5c6ccccc6c(C)c5c4n3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is OZCGONGYEGDHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27FN4O4S/c1-19-23-7-5-6-8-27(23)39-16-15-20-11-14-26(37-31(20)32(19)39)24-17-25-29(18-28(24)38(3)44(4,41)42)43-33(30(25)34(40)36-2)21-9-12-22(35)13-10-21/h5-18H,1-4H3,(H,36,40).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 606.68 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-(12-methylindolo[1,2-h][1,7]naphthyridin-2-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 90341032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).