7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine

C74H74BrClF6N18O — CID 158857723

About 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine

7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine (PubChem CID 158857723) has the molecular formula C74H74BrClF6N18O and a molecular weight of 1460.88 g/mol. Its IUPAC name is 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine.

Molecular Properties

• Compound Name: 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine
• PubChem CID: 158857723
• Molecular Formula: C74H74BrClF6N18O
• Molecular Weight: 1460.88 g/mol
• Exact Mass: 1458.51
• IUPAC Name: 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine
• SMILES: CC(C)N1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1.CC(C)N1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4F)nc3c2)CC1.Fc1ccc(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(Br)cc3n2)cc1F
• InChI: InChI=1S/C26H28ClF2N7.C26H29F2N7.C22H17BrF2N4O/c1-16(2)36-9-7-35(8-10-36)6-5-30-17-11-25-24(31-14-17)4-3-23(33-25)19-15-32-34-26(19)18-12-20(27)22(29)13-21(18)28;1-17(2)35-11-9-34(10-12-35)8-7-29-19-14-25-24(30-15-19)6-5-23(32-25)21-16-31-33-26(21)20-4-3-18(27)13-22(20)28;23-14-10-20-19(26-11-14)7-6-18(27-20)15-12-29(21-3-1-2-8-30-21)28-22(15)13-4-5-16(24)17(25)9-13/h3-4,11-16,30H,5-10H2,1-2H3,(H,32,34);3-6,13-17,29H,7-12H2,1-2H3,(H,31,33);4-7,9-12,21H,1-3,8H2
• InChIKey: JAGPJRYRAYNZBY-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 198.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1460.88
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?

The IUPAC name of 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine (CID 158857723) is 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine.

What is the SMILES notation for 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?

The canonical SMILES for 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine is CC(C)N1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1.CC(C)N1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4F)nc3c2)CC1.Fc1ccc(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(Br)cc3n2)cc1F.

What is the InChIKey of 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?

The InChIKey is JAGPJRYRAYNZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF2N7.C26H29F2N7.C22H17BrF2N4O/c1-16(2)36-9-7-35(8-10-36)6-5-30-17-11-25-24(31-14-17)4-3-23(33-25)19-15-32-34-26(19)18-12-20(27)22(29)13-21(18)28;1-17(2)35-11-9-34(10-12-35)8-7-29-19-14-25-24(30-15-19)6-5-23(32-25)21-16-31-33-26(21)20-4-3-18(27)13-22(20)28;23-14-10-20-19(26-11-14)7-6-18(27-20)15-12-29(21-3-1-2-8-30-21)28-22(15)13-4-5-16(24)17(25)9-13/h3-4,11-16,30H,5-10H2,1-2H3,(H,32,34);3-6,13-17,29H,7-12H2,1-2H3,(H,31,33);4-7,9-12,21H,1-3,8H2.

What are the key properties of 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?

7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine has a molecular weight of 1460.88 g/mol, XLogP of 15.36, 17 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine;6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 158857723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).