2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one

C134H154N30O10S — CID 159889613

About 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one

2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one (PubChem CID 159889613) has the molecular formula C134H154N30O10S and a molecular weight of 2376.97 g/mol. Its IUPAC name is 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

• Compound Name: 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one
• PubChem CID: 159889613
• Molecular Formula: C134H154N30O10S
• Molecular Weight: 2376.97 g/mol
• Exact Mass: 2375.22
• IUPAC Name: 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one
• SMILES: CCN(CC)CCOc1cc(Cc2nc3cccc(-c4cnn(Cc5ccccc5)c4)n3n2)ccn1.CCN(CC)CCOc1cc(Cc2nc3cccc(-c4cnn(S(=O)(=O)CC(C)C)c4)n3n2)ccn1.CC[C@@H](COc1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1)N1CCCC1.COc1ccc(-c2cccc3nc(Cc4ccnc(C(=O)CCCN5CCCC5)c4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccnc(N(C)C(=O)C(C)N5CCCC5)c4)nn23)cc1
• InChI: InChI=1S/C28H31N7O.C27H30N6O2.C27H29N5O2.C27H31N5O2.C25H33N7O3S/c1-3-33(4-2)15-16-36-28-18-23(13-14-29-28)17-26-31-27-12-8-11-25(35(27)32-26)24-19-30-34(21-24)20-22-9-6-5-7-10-22;1-19(32-15-4-5-16-32)27(34)31(2)26-18-20(13-14-28-26)17-24-29-25-8-6-7-23(33(25)30-24)21-9-11-22(35-3)12-10-21;1-34-22-11-9-21(10-12-22)24-6-4-8-27-29-26(30-32(24)27)19-20-13-14-28-23(18-20)25(33)7-5-17-31-15-2-3-16-31;1-3-22(31-17-4-5-18-31)19-34-24-15-11-21(12-16-24)28-27-29-26-8-6-7-25(32(26)30-27)20-9-13-23(33-2)14-10-20;1-5-30(6-2)12-13-35-25-15-20(10-11-26-25)14-23-28-24-9-7-8-22(32(24)29-23)21-16-27-31(17-21)36(33,34)18-19(3)4/h5-14,18-19,21H,3-4,15-17,20H2,1-2H3;6-14,18-19H,4-5,15-17H2,1-3H3;4,6,8-14,18H,2-3,5,7,15-17,19H2,1H3;6-16,22H,3-5,17-19H2,1-2H3,(H,28,30);7-11,15-17,19H,5-6,12-14,18H2,1-4H3/t;;;22-;/m...0./s1
• InChIKey: NUOSNXMVMGZPIV-AKDFKZSISA-N
• XLogP: 21.17
• TPSA: 393.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 39
• Rotatable Bonds: 48
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2376.97
LogP ≤ 5	21.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one?

The IUPAC name of 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one (CID 159889613) is 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one.

What is the SMILES notation for 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one?

The canonical SMILES for 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one is CCN(CC)CCOc1cc(Cc2nc3cccc(-c4cnn(Cc5ccccc5)c4)n3n2)ccn1.CCN(CC)CCOc1cc(Cc2nc3cccc(-c4cnn(S(=O)(=O)CC(C)C)c4)n3n2)ccn1.CC[C@@H](COc1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1)N1CCCC1.COc1ccc(-c2cccc3nc(Cc4ccnc(C(=O)CCCN5CCCC5)c4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccnc(N(C)C(=O)C(C)N5CCCC5)c4)nn23)cc1.

What is the InChIKey of 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one?

The InChIKey is NUOSNXMVMGZPIV-AKDFKZSISA-N. The full InChI is InChI=1S/C28H31N7O.C27H30N6O2.C27H29N5O2.C27H31N5O2.C25H33N7O3S/c1-3-33(4-2)15-16-36-28-18-23(13-14-29-28)17-26-31-27-12-8-11-25(35(27)32-26)24-19-30-34(21-24)20-22-9-6-5-7-10-22;1-19(32-15-4-5-16-32)27(34)31(2)26-18-20(13-14-28-26)17-24-29-25-8-6-7-23(33(25)30-24)21-9-11-22(35-3)12-10-21;1-34-22-11-9-21(10-12-22)24-6-4-8-27-29-26(30-32(24)27)19-20-13-14-28-23(18-20)25(33)7-5-17-31-15-2-3-16-31;1-3-22(31-17-4-5-18-31)19-34-24-15-11-21(12-16-24)28-27-29-26-8-6-7-25(32(26)30-27)20-9-13-23(33-2)14-10-20;1-5-30(6-2)12-13-35-25-15-20(10-11-26-25)14-23-28-24-9-7-8-22(32(24)29-23)21-16-27-31(17-21)36(33,34)18-19(3)4/h5-14,18-19,21H,3-4,15-17,20H2,1-2H3;6-14,18-19H,4-5,15-17H2,1-3H3;4,6,8-14,18H,2-3,5,7,15-17,19H2,1H3;6-16,22H,3-5,17-19H2,1-2H3,(H,28,30);7-11,15-17,19H,5-6,12-14,18H2,1-4H3/t;;;22-;/m...0./s1.

What are the key properties of 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one?

2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one has a molecular weight of 2376.97 g/mol, XLogP of 21.17, 48 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 159889613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).