3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate

C85H93N27O14 — CID 160766971

About 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate

3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate (PubChem CID 160766971) has the molecular formula C85H93N27O14 and a molecular weight of 1716.85 g/mol. Its IUPAC name is 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate
• PubChem CID: 160766971
• Molecular Formula: C85H93N27O14
• Molecular Weight: 1716.85 g/mol
• Exact Mass: 1715.74
• IUPAC Name: 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate
• SMILES: CN(CCOc1cccnc1CN)C(=O)OC(C)(C)C.CNCCOc1cccnc1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ncco2)nc1N.Cc1cnc2ccc(-c3nc(C(=O)NCc4ncccc4OCCN(C)C(=O)OC(C)(C)C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncco3)cn12
• InChI: InChI=1S/C30H33N9O5.C25H25N9O3.C16H12N6O3.C14H23N3O3/c1-18-15-34-22-9-8-19(17-39(18)22)23-24(28-33-11-13-43-28)37-26(31)25(36-23)27(40)35-16-20-21(7-6-10-32-20)42-14-12-38(5)29(41)44-30(2,3)4;1-15-12-30-19-6-5-16(14-34(15)19)20-21(25-29-9-11-37-25)33-23(26)22(32-20)24(35)31-13-17-18(4-3-7-28-17)36-10-8-27-2;1-8-6-19-10-3-2-9(7-22(8)10)11-12(15-18-4-5-25-15)21-14(17)13(20-11)16(23)24;1-14(2,3)20-13(18)17(4)8-9-19-12-6-5-7-16-11(12)10-15/h6-11,13,15,17H,12,14,16H2,1-5H3,(H2,31,37)(H,35,40);3-7,9,11-12,14,27H,8,10,13H2,1-2H3,(H2,26,33)(H,31,35);2-7H,1H3,(H2,17,21)(H,23,24);5-7H,8-10,15H2,1-4H3
• InChIKey: RYUOOTZQYANHSS-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 544.38 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.85
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate?

The IUPAC name of 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate (CID 160766971) is 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate.

What is the SMILES notation for 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate?

The canonical SMILES for 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate is CN(CCOc1cccnc1CN)C(=O)OC(C)(C)C.CNCCOc1cccnc1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ncco2)nc1N.Cc1cnc2ccc(-c3nc(C(=O)NCc4ncccc4OCCN(C)C(=O)OC(C)(C)C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncco3)cn12.

What is the InChIKey of 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate?

The InChIKey is RYUOOTZQYANHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N9O5.C25H25N9O3.C16H12N6O3.C14H23N3O3/c1-18-15-34-22-9-8-19(17-39(18)22)23-24(28-33-11-13-43-28)37-26(31)25(36-23)27(40)35-16-20-21(7-6-10-32-20)42-14-12-38(5)29(41)44-30(2,3)4;1-15-12-30-19-6-5-16(14-34(15)19)20-21(25-29-9-11-37-25)33-23(26)22(32-20)24(35)31-13-17-18(4-3-7-28-17)36-10-8-27-2;1-8-6-19-10-3-2-9(7-22(8)10)11-12(15-18-4-5-25-15)21-14(17)13(20-11)16(23)24;1-14(2,3)20-13(18)17(4)8-9-19-12-6-5-7-16-11(12)10-15/h6-11,13,15,17H,12,14,16H2,1-5H3,(H2,31,37)(H,35,40);3-7,9,11-12,14,27H,8,10,13H2,1-2H3,(H2,26,33)(H,31,35);2-7H,1H3,(H2,17,21)(H,23,24);5-7H,8-10,15H2,1-4H3.

What are the key properties of 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate?

3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate has a molecular weight of 1716.85 g/mol, XLogP of 9.99, 26 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[3-[2-(methylamino)ethoxy]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tert-butyl N-[2-[[2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-3-pyridinyl]oxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[2-(aminomethyl)-3-pyridinyl]oxy]ethyl]-N-methylcarbamate is sourced from PubChem (CID 160766971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).