2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate

C88H101N29O12 — CID 91172834

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate

2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate (PubChem CID 91172834) has the molecular formula C88H101N29O12 and a molecular weight of 1756.97 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate.

Molecular Properties

• Compound Name: 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate
• PubChem CID: 91172834
• Molecular Formula: C88H101N29O12
• Molecular Weight: 1756.97 g/mol
• Exact Mass: 1755.82
• IUPAC Name: 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate
• SMILES: CC(C)n1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)O)c21.CC(C)n1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(NC(=O)OC(C)(C)C)c21.CC(C)n1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(NCCCN)c21.Cn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(N(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c21
• InChI: InChI=1S/C28H36N8O5.C22H25N7O3.C20H24N8O.C18H16N6O3/c1-27(2,3)39-25(37)30-14-11-15-36(26(38)40-28(4,5)6)18-16-31-19(17-12-9-8-10-13-17)20-22(18)35(7)24(32-20)21-23(29)34-41-33-21;1-12(2)29-18-14(25-21(30)31-22(3,4)5)11-24-15(13-9-7-6-8-10-13)16(18)26-20(29)17-19(23)28-32-27-17;1-12(2)28-18-14(23-10-6-9-21)11-24-15(13-7-4-3-5-8-13)16(18)25-20(28)17-19(22)27-29-26-17;1-9(2)24-15-11(18(25)26)8-20-12(10-6-4-3-5-7-10)13(15)21-17(24)14-16(19)23-27-22-14/h8-10,12-13,16H,11,14-15H2,1-7H3,(H2,29,34)(H,30,37);6-12H,1-5H3,(H2,23,28)(H,25,30);3-5,7-8,11-12,23H,6,9-10,21H2,1-2H3,(H2,22,27);3-9H,1-2H3,(H2,19,23)(H,25,26)
• InChIKey: SZIXFYDQLHAAHY-UHFFFAOYSA-N
• XLogP: 15.66
• TPSA: 564.15 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1756.97
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate?

The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate (CID 91172834) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate.

What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate?

The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate is CC(C)n1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)O)c21.CC(C)n1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(NC(=O)OC(C)(C)C)c21.CC(C)n1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(NCCCN)c21.Cn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(N(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c21.

What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate?

The InChIKey is SZIXFYDQLHAAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O5.C22H25N7O3.C20H24N8O.C18H16N6O3/c1-27(2,3)39-25(37)30-14-11-15-36(26(38)40-28(4,5)6)18-16-31-19(17-12-9-8-10-13-17)20-22(18)35(7)24(32-20)21-23(29)34-41-33-21;1-12(2)29-18-14(25-21(30)31-22(3,4)5)11-24-15(13-9-7-6-8-10-13)16(18)26-20(29)17-19(23)28-32-27-17;1-12(2)28-18-14(23-10-6-9-21)11-24-15(13-7-4-3-5-8-13)16(18)25-20(28)17-19(22)27-29-26-17;1-9(2)24-15-11(18(25)26)8-20-12(10-6-4-3-5-7-10)13(15)21-17(24)14-16(19)23-27-22-14/h8-10,12-13,16H,11,14-15H2,1-7H3,(H2,29,34)(H,30,37);6-12H,1-5H3,(H2,23,28)(H,25,30);3-5,7-8,11-12,23H,6,9-10,21H2,1-2H3,(H2,22,27);3-9H,1-2H3,(H2,19,23)(H,25,26).

What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate?

2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate has a molecular weight of 1756.97 g/mol, XLogP of 15.66, 22 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridine-7-carboxylic acid;N'-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]propane-1,3-diamine;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-methyl-4-phenylimidazo[4,5-c]pyridin-7-yl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;tert-butyl N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]carbamate is sourced from PubChem (CID 91172834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).