bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C115H128N22O7S — CID 158456204

IUPACbis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccc3nc(Cc4cccc(N(C)C(=O)C(C)N5CCCC5)c4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(N(C)C(=O)C(C)N5CCCCC5)c4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(N(C)C(=O)C(C)N5CCCCC5)c4)nn23)cc1.Cc1ncsc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C29H31N7OS.2C29H33N5O2.C28H31N5O2/c1-21-27(38-20-31-21)19-30-24-7-4-6-22(18-24)26-8-5-9-28-33-29(34-36(26)28)32-23-10-12-25(13-11-23)37-17-16-35-14-2-3-15-35;2*1-21(33-17-5-4-6-18-33)29(35)32(2)24-10-7-9-22(19-24)20-27-30-28-12-8-11-26(34(28)31-27)23-13-15-25(36-3)16-14-23;1-20(32-16-4-5-17-32)28(34)31(2)23-9-6-8-21(18-23)19-26-29-27-11-7-10-25(33(27)30-26)22-12-14-24(35-3)15-13-22/h4-13,18,20,30H,2-3,14-17,19H2,1H3,(H,32,34);2*7-16,19,21H,4-6,17-18,20H2,1-3H3;6-15,18,20H,4-5,16-17,19H2,1-3H3
InChIKeyHEPFYZUIDUVQTL-UHFFFAOYSA-N
MW1962.50 g/mol
LogP20.10
Rot. Bonds31

About bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 158456204) has the molecular formula C115H128N22O7S and a molecular weight of 1962.50 g/mol. Its IUPAC name is bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Namebis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID158456204
Molecular FormulaC115H128N22O7S
Molecular Weight1962.50 g/mol
Exact Mass1961.01
IUPAC Namebis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccc3nc(Cc4cccc(N(C)C(=O)C(C)N5CCCC5)c4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(N(C)C(=O)C(C)N5CCCCC5)c4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(N(C)C(=O)C(C)N5CCCCC5)c4)nn23)cc1.Cc1ncsc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C29H31N7OS.2C29H33N5O2.C28H31N5O2/c1-21-27(38-20-31-21)19-30-24-7-4-6-22(18-24)26-8-5-9-28-33-29(34-36(26)28)32-23-10-12-25(13-11-23)37-17-16-35-14-2-3-15-35;2*1-21(33-17-5-4-6-18-33)29(35)32(2)24-10-7-9-22(19-24)20-27-30-28-12-8-11-26(34(28)31-27)23-13-15-25(36-3)16-14-23;1-20(32-16-4-5-17-32)28(34)31(2)23-9-6-8-21(18-23)19-26-29-27-11-7-10-25(33(27)30-26)22-12-14-24(35-3)15-13-22/h4-13,18,20,30H,2-3,14-17,19H2,1H3,(H,32,34);2*7-16,19,21H,4-6,17-18,20H2,1-3H3;6-15,18,20H,4-5,16-17,19H2,1-3H3
InChIKeyHEPFYZUIDUVQTL-UHFFFAOYSA-N
XLogP20.10
TPSA268.52 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.50
LogP ≤ 520.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 158456204) is bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(-c2cccc3nc(Cc4cccc(N(C)C(=O)C(C)N5CCCC5)c4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(N(C)C(=O)C(C)N5CCCCC5)c4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(N(C)C(=O)C(C)N5CCCCC5)c4)nn23)cc1.Cc1ncsc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.
What is the InChIKey of bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HEPFYZUIDUVQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7OS.2C29H33N5O2.C28H31N5O2/c1-21-27(38-20-31-21)19-30-24-7-4-6-22(18-24)26-8-5-9-28-33-29(34-36(26)28)32-23-10-12-25(13-11-23)37-17-16-35-14-2-3-15-35;2*1-21(33-17-5-4-6-18-33)29(35)32(2)24-10-7-9-22(19-24)20-27-30-28-12-8-11-26(34(28)31-27)23-13-15-25(36-3)16-14-23;1-20(32-16-4-5-17-32)28(34)31(2)23-9-6-8-21(18-23)19-26-29-27-11-7-10-25(33(27)30-26)22-12-14-24(35-3)15-13-22/h4-13,18,20,30H,2-3,14-17,19H2,1H3,(H,32,34);2*7-16,19,21H,4-6,17-18,20H2,1-3H3;6-15,18,20H,4-5,16-17,19H2,1-3H3.
What are the key properties of bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1962.50 g/mol, XLogP of 20.10, 31 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-piperidin-1-ylpropanamide);N-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 158456204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).