1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide

C25H17F2N5O5S2 — CID 57392760

IUPAC1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O
InChIInChI=1S/C25H17F2N5O5S2/c26-18-2-1-3-19(27)16(18)12-32-13-17(23(34)22-20(32)8-9-21(33)30-22)24(35)29-14-4-6-15(7-5-14)39(36,37)31-25-28-10-11-38-25/h1-11,13H,12H2,(H,28,31)(H,29,35)(H,30,33)
InChIKeyCDTFZNYFUGFINL-UHFFFAOYSA-N
MW569.57 g/mol
LogP3.53
Rot. Bonds7

About 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide

1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 57392760) has the molecular formula C25H17F2N5O5S2 and a molecular weight of 569.57 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide
PubChem CID57392760
Molecular FormulaC25H17F2N5O5S2
Molecular Weight569.57 g/mol
Exact Mass569.06
IUPAC Name1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O
InChIInChI=1S/C25H17F2N5O5S2/c26-18-2-1-3-19(27)16(18)12-32-13-17(23(34)22-20(32)8-9-21(33)30-22)24(35)29-14-4-6-15(7-5-14)39(36,37)31-25-28-10-11-38-25/h1-11,13H,12H2,(H,28,31)(H,29,35)(H,30,33)
InChIKeyCDTFZNYFUGFINL-UHFFFAOYSA-N
XLogP3.53
TPSA143.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.57
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide (CID 57392760) is 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is CDTFZNYFUGFINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N5O5S2/c26-18-2-1-3-19(27)16(18)12-32-13-17(23(34)22-20(32)8-9-21(33)30-22)24(35)29-14-4-6-15(7-5-14)39(36,37)31-25-28-10-11-38-25/h1-11,13H,12H2,(H,28,31)(H,29,35)(H,30,33).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide?
1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 569.57 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57392760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).