7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate

C72H43BrCl4F4N16O4 — CID 158981466

About 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate

7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate (PubChem CID 158981466) has the molecular formula C72H43BrCl4F4N16O4 and a molecular weight of 1493.95 g/mol. Its IUPAC name is 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
• PubChem CID: 158981466
• Molecular Formula: C72H43BrCl4F4N16O4
• Molecular Weight: 1493.95 g/mol
• Exact Mass: 1490.15
• IUPAC Name: 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
• SMILES: COC(=O)c1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)ccc3F)nc2c1.Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Br)cc2n1.O=Cc1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)ccc3F)nc2c1.OCc1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)ccc3F)nc2c1
• InChI: InChI=1S/C19H12ClFN4O2.C18H12ClFN4O.C18H10ClFN4O.C17H9BrClFN4/c1-27-19(26)10-6-17-16(22-8-10)5-4-15(24-17)13-9-23-25-18(13)12-7-11(20)2-3-14(12)21;2*19-11-1-2-14(20)12(6-11)18-13(8-22-24-18)15-3-4-16-17(23-15)5-10(9-25)7-21-16;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/h2-9H,1H3,(H,23,25);1-8,25H,9H2,(H,22,24);1-9H,(H,22,24);1-8H,(H,22,24)
• InChIKey: JPBCSZDIQFQDHG-UHFFFAOYSA-N
• XLogP: 17.77
• TPSA: 281.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1493.95
LogP ≤ 5	17.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?

The IUPAC name of 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate (CID 158981466) is 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate.

What is the SMILES notation for 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?

The canonical SMILES for 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate is COC(=O)c1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)ccc3F)nc2c1.Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Br)cc2n1.O=Cc1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)ccc3F)nc2c1.OCc1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)ccc3F)nc2c1.

What is the InChIKey of 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?

The InChIKey is JPBCSZDIQFQDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2.C18H12ClFN4O.C18H10ClFN4O.C17H9BrClFN4/c1-27-19(26)10-6-17-16(22-8-10)5-4-15(24-17)13-9-23-25-18(13)12-7-11(20)2-3-14(12)21;2*19-11-1-2-14(20)12(6-11)18-13(8-22-24-18)15-3-4-16-17(23-15)5-10(9-25)7-21-16;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/h2-9H,1H3,(H,23,25);1-8,25H,9H2,(H,22,24);1-9H,(H,22,24);1-8H,(H,22,24).

What are the key properties of 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?

7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate has a molecular weight of 1493.95 g/mol, XLogP of 17.77, 11 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 158981466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).