7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone

C₇₄H₄₉Br₄Cl₄F₄N₁₃O₃ — CID 158975275

About 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone

7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone (PubChem CID 158975275) has the molecular formula C₇₄H₄₉Br₄Cl₄F₄N₁₃O₃ and a molecular weight of 1705.71 g/mol. Its IUPAC name is 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone.

Molecular Properties

• Compound Name: 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
• PubChem CID: 158975275
• Molecular Formula: C₇₄H₄₉Br₄Cl₄F₄N₁₃O₃
• Molecular Weight: 1705.71 g/mol
• Exact Mass: 1698.95
• IUPAC Name: 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
• SMILES: CN(C)/C=C(/C(=O)c1cc(Cl)ccc1F)c1ccc2ncc(Br)cc2n1.Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Br)cc2n1.Fc1ccc(Cl)cc1-c1nn(C2CCCCO2)cc1-c1ccc2ncc(Br)cc2n1.O=C(Cc1ccc2ncc(Br)cc2n1)c1cc(Cl)ccc1F
• InChI: InChI=1S/C22H17BrClFN4O.C19H14BrClFN3O.C17H9BrClFN4.C16H9BrClFN2O/c23-13-9-20-19(26-11-13)7-6-18(27-20)16-12-29(21-3-1-2-8-30-21)28-22(16)15-10-14(24)4-5-17(15)25;1-25(2)10-14(19(26)13-8-12(21)3-4-15(13)22)16-5-6-17-18(24-16)7-11(20)9-23-17;18-9-5-16-15(21-7-9)4-3-14(23-16)12-8-22-24-17(12)11-6-10(19)1-2-13(11)20;17-9-5-15-14(20-8-9)4-2-11(21-15)7-16(22)12-6-10(18)1-3-13(12)19/h4-7,9-12,21H,1-3,8H2;3-10H,1-2H3;1-8H,(H,22,24);1-6,8H,7H2/b;14-10+
• InChIKey: JOHUPKUAYKCTEO-CQRLCLJESA-N
• XLogP: 21.24
• TPSA: 196.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1705.71
LogP ≤ 5	21.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone?

The IUPAC name of 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone (CID 158975275) is 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone.

What is the SMILES notation for 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone?

The canonical SMILES for 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone is CN(C)/C=C(/C(=O)c1cc(Cl)ccc1F)c1ccc2ncc(Br)cc2n1.Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Br)cc2n1.Fc1ccc(Cl)cc1-c1nn(C2CCCCO2)cc1-c1ccc2ncc(Br)cc2n1.O=C(Cc1ccc2ncc(Br)cc2n1)c1cc(Cl)ccc1F.

What is the InChIKey of 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone?

The InChIKey is JOHUPKUAYKCTEO-CQRLCLJESA-N. The full InChI is InChI=1S/C22H17BrClFN4O.C19H14BrClFN3O.C17H9BrClFN4.C16H9BrClFN2O/c23-13-9-20-19(26-11-13)7-6-18(27-20)16-12-29(21-3-1-2-8-30-21)28-22(16)15-10-14(24)4-5-17(15)25;1-25(2)10-14(19(26)13-8-12(21)3-4-15(13)22)16-5-6-17-18(24-16)7-11(20)9-23-17;18-9-5-16-15(21-7-9)4-3-14(23-16)12-8-22-24-17(12)11-6-10(19)1-2-13(11)20;17-9-5-15-14(20-8-9)4-2-11(21-15)7-16(22)12-6-10(18)1-3-13(12)19/h4-7,9-12,21H,1-3,8H2;3-10H,1-2H3;1-8H,(H,22,24);1-6,8H,7H2/b;14-10+;;.

What are the key properties of 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone?

7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone has a molecular weight of 1705.71 g/mol, XLogP of 21.24, 12 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 158975275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158975275 — identifiers, structure, computed properties (public domain)

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