7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine

C76H75BrCl2F6N16O — CID 162245840

About 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine

7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine (PubChem CID 162245840) has the molecular formula C76H75BrCl2F6N16O and a molecular weight of 1493.34 g/mol. Its IUPAC name is 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine.

Molecular Properties

• Compound Name: 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine
• PubChem CID: 162245840
• Molecular Formula: C76H75BrCl2F6N16O
• Molecular Weight: 1493.34 g/mol
• Exact Mass: 1490.48
• IUPAC Name: 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine
• SMILES: CC(C)N1CCN(CCCc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1.CC(C)N1CCN(CCCc2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4F)nc3c2)CC1.Fc1cc(F)c(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(Br)cc3n2)cc1Cl
• InChI: InChI=1S/C27H29ClF2N6.C27H30F2N6.C22H16BrClF2N4O/c1-17(2)36-10-8-35(9-11-36)7-3-4-18-12-26-25(31-15-18)6-5-24(33-26)20-16-32-34-27(20)19-13-21(28)23(30)14-22(19)29;1-18(2)35-12-10-34(11-13-35)9-3-4-19-14-26-25(30-16-19)8-7-24(32-26)22-17-31-33-27(22)21-6-5-20(28)15-23(21)29;23-12-7-20-19(27-10-12)5-4-18(28-20)14-11-30(21-3-1-2-6-31-21)29-22(14)13-8-15(24)17(26)9-16(13)25/h5-6,12-17H,3-4,7-11H2,1-2H3,(H,32,34);5-8,14-18H,3-4,9-13H2,1-2H3,(H,31,33);4-5,7-11,21H,1-3,6H2
• InChIKey: ZXHXUGKXAMLCOM-UHFFFAOYSA-N
• XLogP: 17.05
• TPSA: 174.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1493.34
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine?

The IUPAC name of 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine (CID 162245840) is 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine.

What is the SMILES notation for 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine?

The canonical SMILES for 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine is CC(C)N1CCN(CCCc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1.CC(C)N1CCN(CCCc2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4F)nc3c2)CC1.Fc1cc(F)c(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(Br)cc3n2)cc1Cl.

What is the InChIKey of 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine?

The InChIKey is ZXHXUGKXAMLCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClF2N6.C27H30F2N6.C22H16BrClF2N4O/c1-17(2)36-10-8-35(9-11-36)7-3-4-18-12-26-25(31-15-18)6-5-24(33-26)20-16-32-34-27(20)19-13-21(28)23(30)14-22(19)29;1-18(2)35-12-10-34(11-13-35)9-3-4-19-14-26-25(30-16-19)8-7-24(32-26)22-17-31-33-27(22)21-6-5-20(28)15-23(21)29;23-12-7-20-19(27-10-12)5-4-18(28-20)14-11-30(21-3-1-2-6-31-21)29-22(14)13-8-15(24)17(26)9-16(13)25/h5-6,12-17H,3-4,7-11H2,1-2H3,(H,32,34);5-8,14-18H,3-4,9-13H2,1-2H3,(H,31,33);4-5,7-11,21H,1-3,6H2.

What are the key properties of 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine?

7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine has a molecular weight of 1493.34 g/mol, XLogP of 17.05, 17 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,5-naphthyridine is sourced from PubChem (CID 162245840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).