5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C27H24N4O5S — CID 118948469

IUPAC5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCS(=O)(=O)c1ccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc1
InChIInChI=1S/C27H24N4O5S/c1-37(33,34)20-5-2-16(3-6-20)22-14-29-26(30-22)18-12-17-13-19(4-8-23(17)35-15-18)36-24-10-11-28-27-21(24)7-9-25(32)31-27/h2-6,8,10-11,13-14,18H,7,9,12,15H2,1H3,(H,29,30)(H,28,31,32)
InChIKeyTVKRBTBQXFXFTK-UHFFFAOYSA-N
MW516.58 g/mol
LogP4.27
Rot. Bonds5

About 5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 118948469) has the molecular formula C27H24N4O5S and a molecular weight of 516.58 g/mol. Its IUPAC name is 5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID118948469
Molecular FormulaC27H24N4O5S
Molecular Weight516.58 g/mol
Exact Mass516.15
IUPAC Name5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCS(=O)(=O)c1ccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc1
InChIInChI=1S/C27H24N4O5S/c1-37(33,34)20-5-2-16(3-6-20)22-14-29-26(30-22)18-12-17-13-19(4-8-23(17)35-15-18)36-24-10-11-28-27-21(24)7-9-25(32)31-27/h2-6,8,10-11,13-14,18H,7,9,12,15H2,1H3,(H,29,30)(H,28,31,32)
InChIKeyTVKRBTBQXFXFTK-UHFFFAOYSA-N
XLogP4.27
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.58
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 118948469) is 5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CS(=O)(=O)c1ccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc1.
What is the InChIKey of 5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is TVKRBTBQXFXFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5S/c1-37(33,34)20-5-2-16(3-6-20)22-14-29-26(30-22)18-12-17-13-19(4-8-23(17)35-15-18)36-24-10-11-28-27-21(24)7-9-25(32)31-27/h2-6,8,10-11,13-14,18H,7,9,12,15H2,1H3,(H,29,30)(H,28,31,32).
What are the key properties of 5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 516.58 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 118948469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).