7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine

C90H83F3N18O4 — CID 162260701

About 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine

7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 162260701) has the molecular formula C90H83F3N18O4 and a molecular weight of 1537.77 g/mol. Its IUPAC name is 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine
• PubChem CID: 162260701
• Molecular Formula: C90H83F3N18O4
• Molecular Weight: 1537.77 g/mol
• Exact Mass: 1536.68
• IUPAC Name: 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine
• SMILES: CCc1cc2c(Cc3cc(C)cc(CN4CCN(C)CC4)c3)coc2c(C#Cc2ccc3n[nH]nc3c2)n1.Cc1cc(CN2CCCCC2)cc(Oc2noc3c(C#Cc4cnc5ccccn45)c(C)cnc23)c1.Cc1cn(-c2cc(CN(C)Cc3noc4c(C#Cc5cnc6cnccn56)c(C)ccc34)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C31H32N6O.C30H24F3N7O.C29H27N5O2/c1-4-26-18-27-25(16-23-13-21(2)14-24(15-23)19-37-11-9-36(3)10-12-37)20-38-31(27)29(32-26)8-6-22-5-7-28-30(17-22)34-35-33-28;1-19-4-6-26-27(37-41-29(26)25(19)7-5-23-13-35-28-14-34-8-9-40(23)28)17-38(3)16-21-10-22(30(31,32)33)12-24(11-21)39-15-20(2)36-18-39;1-20-14-22(19-33-11-5-3-6-12-33)16-24(15-20)35-29-27-28(36-32-29)25(21(2)17-31-27)10-9-23-18-30-26-8-4-7-13-34(23)26/h5,7,13-15,17-18,20H,4,9-12,16,19H2,1-3H3,(H,33,34,35);4,6,8-15,18H,16-17H2,1-3H3;4,7-8,13-18H,3,5-6,11-12,19H2,1-2H3
• InChIKey: ZZFBWYFWAOMWII-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 220.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.77
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine?

The IUPAC name of 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine (CID 162260701) is 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine.

What is the SMILES notation for 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine?

The canonical SMILES for 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine is CCc1cc2c(Cc3cc(C)cc(CN4CCN(C)CC4)c3)coc2c(C#Cc2ccc3n[nH]nc3c2)n1.Cc1cc(CN2CCCCC2)cc(Oc2noc3c(C#Cc4cnc5ccccn45)c(C)cnc23)c1.Cc1cn(-c2cc(CN(C)Cc3noc4c(C#Cc5cnc6cnccn56)c(C)ccc34)cc(C(F)(F)F)c2)cn1.

What is the InChIKey of 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine?

The InChIKey is ZZFBWYFWAOMWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O.C30H24F3N7O.C29H27N5O2/c1-4-26-18-27-25(16-23-13-21(2)14-24(15-23)19-37-11-9-36(3)10-12-37)20-38-31(27)29(32-26)8-6-22-5-7-28-30(17-22)34-35-33-28;1-19-4-6-26-27(37-41-29(26)25(19)7-5-23-13-35-28-14-34-8-9-40(23)28)17-38(3)16-21-10-22(30(31,32)33)12-24(11-21)39-15-20(2)36-18-39;1-20-14-22(19-33-11-5-3-6-12-33)16-24(15-20)35-29-27-28(36-32-29)25(21(2)17-31-27)10-9-23-18-30-26-8-4-7-13-34(23)26/h5,7,13-15,17-18,20H,4,9-12,16,19H2,1-3H3,(H,33,34,35);4,6,8-15,18H,16-17H2,1-3H3;4,7-8,13-18H,3,5-6,11-12,19H2,1-2H3.

What are the key properties of 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine?

7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 1537.77 g/mol, XLogP of 16.10, 14 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(2H-benzotriazol-5-yl)ethynyl]-5-ethyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]furo[2,3-c]pyridine;N-[[7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N-methyl-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 162260701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).