3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide

C112H85BF13N23O16S2 — CID 165015070

About 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide

3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide (PubChem CID 165015070) has the molecular formula C112H85BF13N23O16S2 and a molecular weight of 2330.98 g/mol. Its IUPAC name is 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
• PubChem CID: 165015070
• Molecular Formula: C112H85BF13N23O16S2
• Molecular Weight: 2330.98 g/mol
• Exact Mass: 2329.59
• IUPAC Name: 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
• SMILES: CNC(=O)c1cc(F)c(Cn2c(=O)[nH]c3cnc4nc(C)ccc4c32)c(F)c1.CNS(=O)(=O)c1cc(F)c(CN2C(=O)Cc3cnc4nc(C)ccc4c32)c(F)c1.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1c(F)cc(B(O)O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1c(F)cc(C(=O)O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1c(F)cc(C(N)=O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1c(F)cc(S(N)(=O)=O)c(F)c1F
• InChI: InChI=1S/C19H15F2N5O2.C19H16F2N4O3S.C19H14F2N4O2.C19H13F2N3O3.C18H14BF2N3O3.C18H13F3N4O3S/c1-9-3-4-11-16-15(7-23-17(11)24-9)25-19(28)26(16)8-12-13(20)5-10(6-14(12)21)18(27)22-2;1-10-3-4-13-18-11(8-23-19(13)24-10)5-17(26)25(18)9-14-15(20)6-12(7-16(14)21)29(27,28)22-2;1-9-2-3-12-17-11(7-23-19(12)24-9)6-16(26)25(17)8-13-14(20)4-10(18(22)27)5-15(13)21;1-9-2-3-12-17-11(7-22-18(12)23-9)6-16(25)24(17)8-13-14(20)4-10(19(26)27)5-15(13)21;1-9-2-3-12-17-10(7-22-18(12)23-9)4-16(25)24(17)8-13-14(20)5-11(19(26)27)6-15(13)21;1-8-2-3-10-17-9(6-23-18(10)24-8)4-14(26)25(17)7-11-12(19)5-13(29(22,27)28)16(21)15(11)20/h3-7H,8H2,1-2H3,(H,22,27)(H,25,28);3-4,6-8,22H,5,9H2,1-2H3;2-5,7H,6,8H2,1H3,(H2,22,27);2-5,7H,6,8H2,1H3,(H,26,27);2-3,5-7,26-27H,4,8H2,1H3;2-3,5-6H,4,7H2,1H3,(H2,22,27,28)
• InChIKey: KHEMDGKGEPJIOP-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 550.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2330.98
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?

The IUPAC name of 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide (CID 165015070) is 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide.

What is the SMILES notation for 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?

The canonical SMILES for 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide is CNC(=O)c1cc(F)c(Cn2c(=O)[nH]c3cnc4nc(C)ccc4c32)c(F)c1.CNS(=O)(=O)c1cc(F)c(CN2C(=O)Cc3cnc4nc(C)ccc4c32)c(F)c1.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1c(F)cc(B(O)O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1c(F)cc(C(=O)O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1c(F)cc(C(N)=O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1c(F)cc(S(N)(=O)=O)c(F)c1F.

What is the InChIKey of 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?

The InChIKey is KHEMDGKGEPJIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2.C19H16F2N4O3S.C19H14F2N4O2.C19H13F2N3O3.C18H14BF2N3O3.C18H13F3N4O3S/c1-9-3-4-11-16-15(7-23-17(11)24-9)25-19(28)26(16)8-12-13(20)5-10(6-14(12)21)18(27)22-2;1-10-3-4-13-18-11(8-23-19(13)24-10)5-17(26)25(18)9-14-15(20)6-12(7-16(14)21)29(27,28)22-2;1-9-2-3-12-17-11(7-23-19(12)24-9)6-16(26)25(17)8-13-14(20)4-10(18(22)27)5-15(13)21;1-9-2-3-12-17-11(7-22-18(12)23-9)6-16(25)24(17)8-13-14(20)4-10(19(26)27)5-15(13)21;1-9-2-3-12-17-10(7-22-18(12)23-9)4-16(25)24(17)8-13-14(20)5-11(19(26)27)6-15(13)21;1-8-2-3-10-17-9(6-23-18(10)24-8)4-14(26)25(17)7-11-12(19)5-13(29(22,27)28)16(21)15(11)20/h3-7H,8H2,1-2H3,(H,22,27)(H,25,28);3-4,6-8,22H,5,9H2,1-2H3;2-5,7H,6,8H2,1H3,(H2,22,27);2-5,7H,6,8H2,1H3,(H,26,27);2-3,5-7,26-27H,4,8H2,1H3;2-3,5-6H,4,7H2,1H3,(H2,22,27,28).

What are the key properties of 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?

3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide has a molecular weight of 2330.98 g/mol, XLogP of 12.97, 19 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 165015070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).