N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine

C44H31F5N18O2S — CID 143835130

About N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine (PubChem CID 143835130) has the molecular formula C44H31F5N18O2S and a molecular weight of 970.91 g/mol. Its IUPAC name is N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
• PubChem CID: 143835130
• Molecular Formula: C44H31F5N18O2S
• Molecular Weight: 970.91 g/mol
• Exact Mass: 970.25
• IUPAC Name: N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
• SMILES: Cc1cc(-c2cc(-c3c(OCCn4cncn4)cnc4c(NCc5nnc6ccc(-c7cc(F)cc(F)c7)nn56)ccnc34)c3nnc(CNc4ccnc5cc(OCC(F)(F)F)cnc45)n3n2)sn1
• InChI: InChI=1S/C44H31F5N18O2S/c1-23-10-35(70-64-23)32-15-28(43-61-60-38(67(43)63-32)19-53-30-4-6-51-33-14-27(16-55-40(30)33)69-20-44(47,48)49)39-34(68-9-8-65-22-50-21-57-65)17-56-41-31(5-7-52-42(39)41)54-18-37-59-58-36-3-2-29(62-66(36)37)24-11-25(45)13-26(46)12-24/h2-7,10-17,21-22H,8-9,18-20H2,1H3,(H,51,53)(H,52,54)
• InChIKey: JDSZPHOOVMOVLP-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 223.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	970.91
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine?

The IUPAC name of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine (CID 143835130) is N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine.

What is the SMILES notation for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine?

The canonical SMILES for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine is Cc1cc(-c2cc(-c3c(OCCn4cncn4)cnc4c(NCc5nnc6ccc(-c7cc(F)cc(F)c7)nn56)ccnc34)c3nnc(CNc4ccnc5cc(OCC(F)(F)F)cnc45)n3n2)sn1.

What is the InChIKey of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine?

The InChIKey is JDSZPHOOVMOVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31F5N18O2S/c1-23-10-35(70-64-23)32-15-28(43-61-60-38(67(43)63-32)19-53-30-4-6-51-33-14-27(16-55-40(30)33)69-20-44(47,48)49)39-34(68-9-8-65-22-50-21-57-65)17-56-41-31(5-7-52-42(39)41)54-18-37-59-58-36-3-2-29(62-66(36)37)24-11-25(45)13-26(46)12-24/h2-7,10-17,21-22H,8-9,18-20H2,1H3,(H,51,53)(H,52,54).

What are the key properties of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine?

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine has a molecular weight of 970.91 g/mol, XLogP of 7.33, 15 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(3-methyl-1,2-thiazol-5-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 143835130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).