6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine

C56H61BrCl2N14O6 — CID 159969199

About 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine

6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine (PubChem CID 159969199) has the molecular formula C56H61BrCl2N14O6 and a molecular weight of 1177.01 g/mol. Its IUPAC name is 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine.

Molecular Properties

• Compound Name: 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine
• PubChem CID: 159969199
• Molecular Formula: C56H61BrCl2N14O6
• Molecular Weight: 1177.01 g/mol
• Exact Mass: 1174.35
• IUPAC Name: 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine
• SMILES: CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(Br)cnc32)C1.Cc1cc(N)n(C)n1.Cc1cc(Nc2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(C)C2)n(C)n1
• InChI: InChI=1S/C28H30ClN7O3.C23H22BrClN4O3.C5H9N3/c1-17-9-23(34(4)33-17)32-21-10-19-11-22(26(38)31-12-18-5-7-20(29)8-6-18)27(39)36(25(19)30-13-21)14-24(37)35-15-28(2,3)16-35;1-23(2)12-28(13-23)19(30)11-29-20-15(7-16(24)10-26-20)8-18(22(29)32)21(31)27-9-14-3-5-17(25)6-4-14;1-4-3-5(6)8(2)7-4/h5-11,13,32H,12,14-16H2,1-4H3,(H,31,38);3-8,10H,9,11-13H2,1-2H3,(H,27,31);3H,6H2,1-2H3
• InChIKey: OEIAIYXYBKVBNW-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 242.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1177.01
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine?

The IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine (CID 159969199) is 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine.

What is the SMILES notation for 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine?

The canonical SMILES for 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(Br)cnc32)C1.Cc1cc(N)n(C)n1.Cc1cc(Nc2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(C)C2)n(C)n1.

What is the InChIKey of 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine?

The InChIKey is OEIAIYXYBKVBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN7O3.C23H22BrClN4O3.C5H9N3/c1-17-9-23(34(4)33-17)32-21-10-19-11-22(26(38)31-12-18-5-7-20(29)8-6-18)27(39)36(25(19)30-13-21)14-24(37)35-15-28(2,3)16-35;1-23(2)12-28(13-23)19(30)11-29-20-15(7-16(24)10-26-20)8-18(22(29)32)21(31)27-9-14-3-5-17(25)6-4-14;1-4-3-5(6)8(2)7-4/h5-11,13,32H,12,14-16H2,1-4H3,(H,31,38);3-8,10H,9,11-13H2,1-2H3,(H,27,31);3H,6H2,1-2H3.

What are the key properties of 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine?

6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine has a molecular weight of 1177.01 g/mol, XLogP of 7.56, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide;2,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 159969199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).