5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol

C84H90N18O4 — CID 160702574

About 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol

5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol (PubChem CID 160702574) has the molecular formula C84H90N18O4 and a molecular weight of 1415.77 g/mol. Its IUPAC name is 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol.

Molecular Properties

• Compound Name: 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol
• PubChem CID: 160702574
• Molecular Formula: C84H90N18O4
• Molecular Weight: 1415.77 g/mol
• Exact Mass: 1414.74
• IUPAC Name: 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol
• SMILES: Cn1ccnc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.Oc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.c1cc(NCc2ccco2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
• InChI: InChI=1S/C29H32N8O.C29H30N6O2.C26H28N4O/c1-35-17-14-30-28(35)21-31-24-7-4-6-22(20-24)26-8-5-9-27-33-29(34-37(26)27)32-23-10-12-25(13-11-23)38-19-18-36-15-2-3-16-36;1-2-16-34(15-1)17-19-37-25-13-11-23(12-14-25)31-29-32-28-10-4-9-27(35(28)33-29)22-6-3-7-24(20-22)30-21-26-8-5-18-36-26;31-23-8-3-7-22(19-23)24-9-4-10-26-27-25(28-30(24)26)18-21-13-11-20(12-14-21)6-5-17-29-15-1-2-16-29/h4-14,17,20,31H,2-3,15-16,18-19,21H2,1H3,(H,32,34);3-14,18,20,30H,1-2,15-17,19,21H2,(H,31,33);3-4,7-14,19,31H,1-2,5-6,15-18H2
• InChIKey: RQUQDRLSMJICGN-UHFFFAOYSA-N
• XLogP: 15.50
• TPSA: 218.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1415.77
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol?

The IUPAC name of 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol (CID 160702574) is 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol.

What is the SMILES notation for 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol?

The canonical SMILES for 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol is Cn1ccnc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.Oc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.c1cc(NCc2ccco2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.

What is the InChIKey of 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol?

The InChIKey is RQUQDRLSMJICGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O.C29H30N6O2.C26H28N4O/c1-35-17-14-30-28(35)21-31-24-7-4-6-22(20-24)26-8-5-9-27-33-29(34-37(26)27)32-23-10-12-25(13-11-23)38-19-18-36-15-2-3-16-36;1-2-16-34(15-1)17-19-37-25-13-11-23(12-14-25)31-29-32-28-10-4-9-27(35(28)33-29)22-6-3-7-24(20-22)30-21-26-8-5-18-36-26;31-23-8-3-7-22(19-23)24-9-4-10-26-27-25(28-30(24)26)18-21-13-11-20(12-14-21)6-5-17-29-15-1-2-16-29/h4-14,17,20,31H,2-3,15-16,18-19,21H2,1H3,(H,32,34);3-14,18,20,30H,1-2,15-17,19,21H2,(H,31,33);3-4,7-14,19,31H,1-2,5-6,15-18H2.

What are the key properties of 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol?

5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol has a molecular weight of 1415.77 g/mol, XLogP of 15.50, 27 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(furan-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol is sourced from PubChem (CID 160702574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).