5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol

C111H119F3N22O5 — CID 162226673

About 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol

5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol (PubChem CID 162226673) has the molecular formula C111H119F3N22O5 and a molecular weight of 1898.32 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol.

Molecular Properties

• Compound Name: 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol
• PubChem CID: 162226673
• Molecular Formula: C111H119F3N22O5
• Molecular Weight: 1898.32 g/mol
• Exact Mass: 1896.97
• IUPAC Name: 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol
• SMILES: CN(C)c1cccc(-c2cccc3nc(Nc4ccc(CCCN5CCCC5)cc4)nn23)c1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)nc1.O=C(Nc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1)Nc1cccc(C(F)(F)F)c1.OCc1ccc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cc1
• InChI: InChI=1S/C32H30F3N7O2.C27H32N6.C26H29N5O.C26H28N4O2/c33-32(34,35)23-7-4-9-26(21-23)38-31(43)37-25-8-3-6-22(20-25)28-10-5-11-29-39-30(40-42(28)29)36-24-12-14-27(15-13-24)44-19-18-41-16-1-2-17-41;1-31(2)24-10-5-9-22(20-24)25-11-6-12-26-29-27(30-33(25)26)28-23-15-13-21(14-16-23)8-7-19-32-17-3-4-18-32;1-32-22-13-14-23(27-19-22)24-7-4-8-26-28-25(29-31(24)26)18-21-11-9-20(10-12-21)6-5-17-30-15-2-3-16-30;31-19-21-6-10-22(11-7-21)24-4-3-5-26-27-25(28-30(24)26)18-20-8-12-23(13-9-20)32-17-16-29-14-1-2-15-29/h3-15,20-21H,1-2,16-19H2,(H,36,40)(H2,37,38,43);5-6,9-16,20H,3-4,7-8,17-19H2,1-2H3,(H,28,30);4,7-14,19H,2-3,5-6,15-18H2,1H3;3-13,31H,1-2,14-19H2
• InChIKey: ZUVZECOCLXJQHM-UHFFFAOYSA-N
• XLogP: 20.88
• TPSA: 262.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 33
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.32
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol?

The IUPAC name of 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol (CID 162226673) is 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol.

What is the SMILES notation for 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol?

The canonical SMILES for 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol is CN(C)c1cccc(-c2cccc3nc(Nc4ccc(CCCN5CCCC5)cc4)nn23)c1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)nc1.O=C(Nc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1)Nc1cccc(C(F)(F)F)c1.OCc1ccc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cc1.

What is the InChIKey of 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol?

The InChIKey is ZUVZECOCLXJQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N7O2.C27H32N6.C26H29N5O.C26H28N4O2/c33-32(34,35)23-7-4-9-26(21-23)38-31(43)37-25-8-3-6-22(20-25)28-10-5-11-29-39-30(40-42(28)29)36-24-12-14-27(15-13-24)44-19-18-41-16-1-2-17-41;1-31(2)24-10-5-9-22(20-24)25-11-6-12-26-29-27(30-33(25)26)28-23-15-13-21(14-16-23)8-7-19-32-17-3-4-18-32;1-32-22-13-14-23(27-19-22)24-7-4-8-26-28-25(29-31(24)26)18-21-11-9-20(10-12-21)6-5-17-30-15-2-3-16-30;31-19-21-6-10-22(11-7-21)24-4-3-5-26-27-25(28-30(24)26)18-20-8-12-23(13-9-20)32-17-16-29-14-1-2-15-29/h3-15,20-21H,1-2,16-19H2,(H,36,40)(H2,37,38,43);5-6,9-16,20H,3-4,7-8,17-19H2,1-2H3,(H,28,30);4,7-14,19H,2-3,5-6,15-18H2,1H3;3-13,31H,1-2,14-19H2.

What are the key properties of 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol?

5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol has a molecular weight of 1898.32 g/mol, XLogP of 20.88, 33 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(dimethylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(5-methoxy-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanol is sourced from PubChem (CID 162226673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).