5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C85H91N23O3S — CID 161309416

About 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 161309416) has the molecular formula C85H91N23O3S and a molecular weight of 1514.89 g/mol. Its IUPAC name is 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 161309416
• Molecular Formula: C85H91N23O3S
• Molecular Weight: 1514.89 g/mol
• Exact Mass: 1513.74
• IUPAC Name: 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: Cn1cncc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.c1cc(NCc2cncs2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.c1cc(NCc2ncc[nH]2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
• InChI: InChI=1S/C29H32N8O.C28H30N8O.C28H29N7OS/c1-35-21-30-19-25(35)20-31-24-7-4-6-22(18-24)27-8-5-9-28-33-29(34-37(27)28)32-23-10-12-26(13-11-23)38-17-16-36-14-2-3-15-36;1-2-16-35(15-1)17-18-37-24-11-9-22(10-12-24)32-28-33-27-8-4-7-25(36(27)34-28)21-5-3-6-23(19-21)31-20-26-29-13-14-30-26;1-2-14-34(13-1)15-16-36-24-11-9-22(10-12-24)31-28-32-27-8-4-7-26(35(27)33-28)21-5-3-6-23(17-21)30-19-25-18-29-20-37-25/h4-13,18-19,21,31H,2-3,14-17,20H2,1H3,(H,32,34);3-14,19,31H,1-2,15-18,20H2,(H,29,30)(H,32,34);3-12,17-18,20,30H,1-2,13-16,19H2,(H,31,33)
• InChIKey: VIRLCBDDAGHTNH-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 259.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1514.89
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 161309416) is 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cn1cncc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.c1cc(NCc2cncs2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.c1cc(NCc2ncc[nH]2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.

What is the InChIKey of 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is VIRLCBDDAGHTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O.C28H30N8O.C28H29N7OS/c1-35-21-30-19-25(35)20-31-24-7-4-6-22(18-24)27-8-5-9-28-33-29(34-37(27)28)32-23-10-12-26(13-11-23)38-17-16-36-14-2-3-15-36;1-2-16-35(15-1)17-18-37-24-11-9-22(10-12-24)32-28-33-27-8-4-7-25(36(27)34-28)21-5-3-6-23(19-21)31-20-26-29-13-14-30-26;1-2-14-34(13-1)15-16-36-24-11-9-22(10-12-24)31-28-32-27-8-4-7-26(35(27)33-28)21-5-3-6-23(17-21)30-19-25-18-29-20-37-25/h4-13,18-19,21,31H,2-3,14-17,20H2,1H3,(H,32,34);3-14,19,31H,1-2,15-18,20H2,(H,29,30)(H,32,34);3-12,17-18,20,30H,1-2,13-16,19H2,(H,31,33).

What are the key properties of 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1514.89 g/mol, XLogP of 15.59, 30 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(1H-imidazol-2-ylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylimidazol-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-(1,3-thiazol-5-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 161309416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).