7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol

C101H95BrCl4F8N18O4 — CID 159978555

About 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol

7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol (PubChem CID 159978555) has the molecular formula C101H95BrCl4F8N18O4 and a molecular weight of 1998.69 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;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol.

Molecular Properties

• Compound Name: 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol
• PubChem CID: 159978555
• Molecular Formula: C101H95BrCl4F8N18O4
• Molecular Weight: 1998.69 g/mol
• Exact Mass: 1994.56
• IUPAC Name: 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol
• SMILES: CC(C)(C)N1CCN(CCCc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1.CCCCc1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)c(F)cc3F)nc2c1.Fc1cc(F)c(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(Br)cc3n2)cc1Cl.OCCCc1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)c(F)cc3F)nc2c1
• InChI: InChI=1S/C28H31ClF2N6.C26H25ClF2N4O.C25H23ClF2N4O2.C22H16BrClF2N4O/c1-28(2,3)37-11-9-36(10-12-37)8-4-5-18-13-26-25(32-16-18)7-6-24(34-26)20-17-33-35-27(20)19-14-21(29)23(31)15-22(19)30;1-2-3-6-16-11-24-23(30-14-16)9-8-22(31-24)18-15-33(25-7-4-5-10-34-25)32-26(18)17-12-19(27)21(29)13-20(17)28;26-18-11-16(19(27)12-20(18)28)25-17(14-32(31-25)24-5-1-2-9-34-24)21-6-7-22-23(30-21)10-15(13-29-22)4-3-8-33;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/h6-7,13-17H,4-5,8-12H2,1-3H3,(H,33,35);8-9,11-15,25H,2-7,10H2,1H3;6-7,10-14,24,33H,1-5,8-9H2;4-5,7-11,21H,1-3,6H2
• InChIKey: OFLXEDVWNIJUKQ-UHFFFAOYSA-N
• XLogP: 25.37
• TPSA: 239.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1998.69
LogP ≤ 5	25.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

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;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol?

The IUPAC name of 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol (CID 159978555) is 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol.

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;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol?

The canonical SMILES for 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol is CC(C)(C)N1CCN(CCCc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1.CCCCc1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)c(F)cc3F)nc2c1.Fc1cc(F)c(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(Br)cc3n2)cc1Cl.OCCCc1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)c(F)cc3F)nc2c1.

What is the InChIKey of 7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol?

The InChIKey is OFLXEDVWNIJUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClF2N6.C26H25ClF2N4O.C25H23ClF2N4O2.C22H16BrClF2N4O/c1-28(2,3)37-11-9-36(10-12-37)8-4-5-18-13-26-25(32-16-18)7-6-24(34-26)20-17-33-35-27(20)19-14-21(29)23(31)15-22(19)30;1-2-3-6-16-11-24-23(30-14-16)9-8-22(31-24)18-15-33(25-7-4-5-10-34-25)32-26(18)17-12-19(27)21(29)13-20(17)28;26-18-11-16(19(27)12-20(18)28)25-17(14-32(31-25)24-5-1-2-9-34-24)21-6-7-22-23(30-21)10-15(13-29-22)4-3-8-33;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/h6-7,13-17H,4-5,8-12H2,1-3H3,(H,33,35);8-9,11-15,25H,2-7,10H2,1H3;6-7,10-14,24,33H,1-5,8-9H2;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;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol?

7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol has a molecular weight of 1998.69 g/mol, XLogP of 25.37, 21 rotatable bonds, 2 hydrogen bond donors, and 21 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;7-butyl-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-[3-(4-tert-butylpiperazin-1-yl)propyl]-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol is sourced from PubChem (CID 159978555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).