5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C91H98FN21O3S — CID 161261364

About 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 161261364) has the molecular formula C91H98FN21O3S and a molecular weight of 1584.99 g/mol. Its IUPAC name is 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 161261364
• Molecular Formula: C91H98FN21O3S
• Molecular Weight: 1584.99 g/mol
• Exact Mass: 1583.79
• IUPAC Name: 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: Cc1cc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)n(C)n1.Cc1nc(C)c(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)s1.Fc1cccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)c1
• InChI: InChI=1S/C31H31FN6O.C30H34N8O.C30H33N7OS/c32-25-8-3-6-23(20-25)22-33-27-9-4-7-24(21-27)29-10-5-11-30-35-31(36-38(29)30)34-26-12-14-28(15-13-26)39-19-18-37-16-1-2-17-37;1-22-19-26(36(2)34-22)21-31-25-8-5-7-23(20-25)28-9-6-10-29-33-30(35-38(28)29)32-24-11-13-27(14-12-24)39-18-17-37-15-3-4-16-37;1-21-28(39-22(2)32-21)20-31-25-8-5-7-23(19-25)27-9-6-10-29-34-30(35-37(27)29)33-24-11-13-26(14-12-24)38-18-17-36-15-3-4-16-36/h3-15,20-21,33H,1-2,16-19,22H2,(H,34,36);5-14,19-20,31H,3-4,15-18,21H2,1-2H3,(H,32,35);5-14,19,31H,3-4,15-18,20H2,1-2H3,(H,33,35)
• InChIKey: VCPAJBIJPXQFCQ-UHFFFAOYSA-N
• XLogP: 17.93
• TPSA: 230.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1584.99
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 161261364) is 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)n(C)n1.Cc1nc(C)c(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)s1.Fc1cccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)c1.

What is the InChIKey of 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is VCPAJBIJPXQFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN6O.C30H34N8O.C30H33N7OS/c32-25-8-3-6-23(20-25)22-33-27-9-4-7-24(21-27)29-10-5-11-30-35-31(36-38(29)30)34-26-12-14-28(15-13-26)39-19-18-37-16-1-2-17-37;1-22-19-26(36(2)34-22)21-31-25-8-5-7-23(20-25)28-9-6-10-29-33-30(35-38(28)29)32-24-11-13-27(14-12-24)39-18-17-37-15-3-4-16-37;1-21-28(39-22(2)32-21)20-31-25-8-5-7-23(19-25)27-9-6-10-29-34-30(35-37(27)29)33-24-11-13-26(14-12-24)38-18-17-36-15-3-4-16-36/h3-15,20-21,33H,1-2,16-19,22H2,(H,34,36);5-14,19-20,31H,3-4,15-18,21H2,1-2H3,(H,32,35);5-14,19,31H,3-4,15-18,20H2,1-2H3,(H,33,35).

What are the key properties of 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1584.99 g/mol, XLogP of 17.93, 30 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 161261364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).