5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C114H137N25O5 — CID 157212683

About 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 157212683) has the molecular formula C114H137N25O5 and a molecular weight of 1937.52 g/mol. Its IUPAC name is 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 157212683
• Molecular Formula: C114H137N25O5
• Molecular Weight: 1937.52 g/mol
• Exact Mass: 1936.12
• IUPAC Name: 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: CC(C)(C)CNC(=O)Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.CN1CCOc2cc(-c3cccc4nc(Nc5ccc(CCCN6CCCC6)cc5)nn34)ccc21.COc1cc(Nc2nc3cccc(-c4ccc5c(c4)OCCN5C)n3n2)ccc1OCCN1CCCC1.Cc1cc(-c2cccc3nc(Nc4ccc(CCCN5CCCC5)cc4)nn23)ccc1N(C)C
• InChI: InChI=1S/C30H39N7O.C28H32N6O3.C28H32N6O.C28H34N6/c1-30(2,3)22-31-29(38)21-36-20-25(19-32-36)26-9-6-10-28-33-27(34-37(26)28)18-24-13-11-23(12-14-24)8-7-17-35-15-4-5-16-35;1-32-14-16-37-25-18-20(8-10-23(25)32)22-6-5-7-27-30-28(31-34(22)27)29-21-9-11-24(26(19-21)35-2)36-17-15-33-12-3-4-13-33;1-32-18-19-35-26-20-22(11-14-25(26)32)24-7-4-8-27-30-28(31-34(24)27)29-23-12-9-21(10-13-23)6-5-17-33-15-2-3-16-33;1-21-20-23(13-16-25(21)32(2)3)26-9-6-10-27-30-28(31-34(26)27)29-24-14-11-22(12-15-24)8-7-19-33-17-4-5-18-33/h6,9-14,19-20H,4-5,7-8,15-18,21-22H2,1-3H3,(H,31,38);5-11,18-19H,3-4,12-17H2,1-2H3,(H,29,31);4,7-14,20H,2-3,5-6,15-19H2,1H3,(H,29,31);6,9-16,20H,4-5,7-8,17-19H2,1-3H3,(H,29,31)
• InChIKey: ASBHWBBOSMUCHL-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 263.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1937.52
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 157212683) is 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(C)(C)CNC(=O)Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.CN1CCOc2cc(-c3cccc4nc(Nc5ccc(CCCN6CCCC6)cc5)nn34)ccc21.COc1cc(Nc2nc3cccc(-c4ccc5c(c4)OCCN5C)n3n2)ccc1OCCN1CCCC1.Cc1cc(-c2cccc3nc(Nc4ccc(CCCN5CCCC5)cc4)nn23)ccc1N(C)C.

What is the InChIKey of 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is ASBHWBBOSMUCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O.C28H32N6O3.C28H32N6O.C28H34N6/c1-30(2,3)22-31-29(38)21-36-20-25(19-32-36)26-9-6-10-28-33-27(34-37(26)28)18-24-13-11-23(12-14-24)8-7-17-35-15-4-5-16-35;1-32-14-16-37-25-18-20(8-10-23(25)32)22-6-5-7-27-30-28(31-34(22)27)29-21-9-11-24(26(19-21)35-2)36-17-15-33-12-3-4-13-33;1-32-18-19-35-26-20-22(11-14-25(26)32)24-7-4-8-27-30-28(31-34(24)27)29-23-12-9-21(10-13-23)6-5-17-33-15-2-3-16-33;1-21-20-23(13-16-25(21)32(2)3)26-9-6-10-27-30-28(31-34(26)27)29-24-14-11-22(12-15-24)8-7-19-33-17-4-5-18-33/h6,9-14,19-20H,4-5,7-8,15-18,21-22H2,1-3H3,(H,31,38);5-11,18-19H,3-4,12-17H2,1-2H3,(H,29,31);4,7-14,20H,2-3,5-6,15-19H2,1H3,(H,29,31);6,9-16,20H,4-5,7-8,17-19H2,1-3H3,(H,29,31).

What are the key properties of 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1937.52 g/mol, XLogP of 19.37, 33 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 157212683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).