3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate

C37H27F4N9O6 — CID 165066562

IUPAC3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate
SMILESCOC(=O)c1cc(F)c(Cn2c(=O)[nH]c3cnc4nc(C)ccc4c32)c(F)c1.Cc1ccc2c(ncc3[nH]c(=O)n(Cc4c(F)cc(C(=O)NO)cc4F)c32)n1
InChIInChI=1S/C19H14F2N4O3.C18H13F2N5O3/c1-9-3-4-11-16-15(7-22-17(11)23-9)24-19(27)25(16)8-12-13(20)5-10(6-14(12)21)18(26)28-2;1-8-2-3-10-15-14(6-21-16(10)22-8)23-18(27)25(15)7-11-12(19)4-9(5-13(11)20)17(26)24-28/h3-7H,8H2,1-2H3,(H,24,27);2-6,28H,7H2,1H3,(H,23,27)(H,24,26)
InChIKeySBFXEIQOLSUTRK-UHFFFAOYSA-N
MW769.67 g/mol
LogP4.72
Rot. Bonds6

About 3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate

3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate (PubChem CID 165066562) has the molecular formula C37H27F4N9O6 and a molecular weight of 769.67 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate
PubChem CID165066562
Molecular FormulaC37H27F4N9O6
Molecular Weight769.67 g/mol
Exact Mass769.20
IUPAC Name3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate
SMILESCOC(=O)c1cc(F)c(Cn2c(=O)[nH]c3cnc4nc(C)ccc4c32)c(F)c1.Cc1ccc2c(ncc3[nH]c(=O)n(Cc4c(F)cc(C(=O)NO)cc4F)c32)n1
InChIInChI=1S/C19H14F2N4O3.C18H13F2N5O3/c1-9-3-4-11-16-15(7-22-17(11)23-9)24-19(27)25(16)8-12-13(20)5-10(6-14(12)21)18(26)28-2;1-8-2-3-10-15-14(6-21-16(10)22-8)23-18(27)25(15)7-11-12(19)4-9(5-13(11)20)17(26)24-28/h3-7H,8H2,1-2H3,(H,24,27);2-6,28H,7H2,1H3,(H,23,27)(H,24,26)
InChIKeySBFXEIQOLSUTRK-UHFFFAOYSA-N
XLogP4.72
TPSA202.77 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.67
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate (CID 165066562) is 3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate is COC(=O)c1cc(F)c(Cn2c(=O)[nH]c3cnc4nc(C)ccc4c32)c(F)c1.Cc1ccc2c(ncc3[nH]c(=O)n(Cc4c(F)cc(C(=O)NO)cc4F)c32)n1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate?
The InChIKey is SBFXEIQOLSUTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3.C18H13F2N5O3/c1-9-3-4-11-16-15(7-22-17(11)23-9)24-19(27)25(16)8-12-13(20)5-10(6-14(12)21)18(26)28-2;1-8-2-3-10-15-14(6-21-16(10)22-8)23-18(27)25(15)7-11-12(19)4-9(5-13(11)20)17(26)24-28/h3-7H,8H2,1-2H3,(H,24,27);2-6,28H,7H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate?
3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate has a molecular weight of 769.67 g/mol, XLogP of 4.72, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-hydroxy-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;methyl 3,5-difluoro-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzoate is sourced from PubChem (CID 165066562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).