5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C92H98F3N21O4S — CID 159431947

About 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 159431947) has the molecular formula C92H98F3N21O4S and a molecular weight of 1651.00 g/mol. Its IUPAC name is 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 159431947
• Molecular Formula: C92H98F3N21O4S
• Molecular Weight: 1651.00 g/mol
• Exact Mass: 1649.78
• IUPAC Name: 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: Cc1ncc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)n1C.FC(F)(F)c1ccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)o1.c1cc(NCc2nc3c(s2)CCCC3)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
• InChI: InChI=1S/C32H35N7OS.C30H29F3N6O2.C30H34N8O/c1-2-11-29-27(9-1)35-31(41-29)22-33-25-8-5-7-23(21-25)28-10-6-12-30-36-32(37-39(28)30)34-24-13-15-26(16-14-24)40-20-19-38-17-3-4-18-38;31-30(32,33)27-14-13-25(41-27)20-34-23-6-3-5-21(19-23)26-7-4-8-28-36-29(37-39(26)28)35-22-9-11-24(12-10-22)40-18-17-38-15-1-2-16-38;1-22-31-20-26(36(22)2)21-32-25-8-5-7-23(19-25)28-9-6-10-29-34-30(35-38(28)29)33-24-11-13-27(14-12-24)39-18-17-37-15-3-4-16-37/h5-8,10,12-16,21,33H,1-4,9,11,17-20,22H2,(H,34,37);3-14,19,34H,1-2,15-18,20H2,(H,35,37);5-14,19-20,32H,3-4,15-18,21H2,1-2H3,(H,33,35)
• InChIKey: LRCBTSAZPZRWLT-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 244.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1651.00
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 159431947) is 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ncc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)n1C.FC(F)(F)c1ccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)o1.c1cc(NCc2nc3c(s2)CCCC3)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.

What is the InChIKey of 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is LRCBTSAZPZRWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7OS.C30H29F3N6O2.C30H34N8O/c1-2-11-29-27(9-1)35-31(41-29)22-33-25-8-5-7-23(21-25)28-10-6-12-30-36-32(37-39(28)30)34-24-13-15-26(16-14-24)40-20-19-38-17-3-4-18-38;31-30(32,33)27-14-13-25(41-27)20-34-23-6-3-5-21(19-23)26-7-4-8-28-36-29(37-39(26)28)35-22-9-11-24(12-10-22)40-18-17-38-15-1-2-16-38;1-22-31-20-26(36(22)2)21-32-25-8-5-7-23(19-25)28-9-6-10-29-34-30(35-38(28)29)33-24-11-13-27(14-12-24)39-18-17-37-15-3-4-16-37/h5-8,10,12-16,21,33H,1-4,9,11,17-20,22H2,(H,34,37);3-14,19,34H,1-2,15-18,20H2,(H,35,37);5-14,19-20,32H,3-4,15-18,21H2,1-2H3,(H,33,35).

What are the key properties of 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1651.00 g/mol, XLogP of 18.67, 30 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 159431947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).