tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine

C89H109BrCl2N30O14 — CID 159869979

About tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine

tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 159869979) has the molecular formula C89H109BrCl2N30O14 and a molecular weight of 1973.86 g/mol. Its IUPAC name is tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

• Compound Name: tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
• PubChem CID: 159869979
• Molecular Formula: C89H109BrCl2N30O14
• Molecular Weight: 1973.86 g/mol
• Exact Mass: 1970.73
• IUPAC Name: tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
• SMILES: CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(N3CCNCC3)c21.CCn1c(-c2nonc2NC(=O)OC(C)(C)C)nc2c(-c3ccccc3)ncc(N3CCN(C(=O)OC(C)(C)C)CC3)c21.CCn1c(-c2nonc2NC(=O)OC(C)(C)C)nc2c(Cl)ncc(Br)c21.CCn1c(-c2nonc2NC(=O)OC(C)(C)C)nc2c(Cl)ncc(N3CCN(C(=O)OC(C)(C)C)CC3)c21
• InChI: InChI=1S/C30H38N8O5.C24H33ClN8O5.C20H22N8O.C15H16BrClN6O3/c1-8-38-24-20(36-14-16-37(17-15-36)28(40)42-30(5,6)7)18-31-21(19-12-10-9-11-13-19)22(24)32-26(38)23-25(35-43-34-23)33-27(39)41-29(2,3)4;1-8-33-17-14(31-9-11-32(12-10-31)22(35)37-24(5,6)7)13-26-18(25)15(17)27-20(33)16-19(30-38-29-16)28-21(34)36-23(2,3)4;1-2-28-18-14(27-10-8-22-9-11-27)12-23-15(13-6-4-3-5-7-13)16(18)24-20(28)17-19(21)26-29-25-17;1-5-23-10-7(16)6-18-11(17)8(10)19-13(23)9-12(22-26-21-9)20-14(24)25-15(2,3)4/h9-13,18H,8,14-17H2,1-7H3,(H,33,35,39);13H,8-12H2,1-7H3,(H,28,30,34);3-7,12,22H,2,8-11H2,1H3,(H2,21,26);6H,5H2,1-4H3,(H,20,22,24)
• InChIKey: NSFIELUDHHISNO-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 500.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.86
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?

The IUPAC name of tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine (CID 159869979) is tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine.

What is the SMILES notation for tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?

The canonical SMILES for tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(N3CCNCC3)c21.CCn1c(-c2nonc2NC(=O)OC(C)(C)C)nc2c(-c3ccccc3)ncc(N3CCN(C(=O)OC(C)(C)C)CC3)c21.CCn1c(-c2nonc2NC(=O)OC(C)(C)C)nc2c(Cl)ncc(Br)c21.CCn1c(-c2nonc2NC(=O)OC(C)(C)C)nc2c(Cl)ncc(N3CCN(C(=O)OC(C)(C)C)CC3)c21.

What is the InChIKey of tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?

The InChIKey is NSFIELUDHHISNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O5.C24H33ClN8O5.C20H22N8O.C15H16BrClN6O3/c1-8-38-24-20(36-14-16-37(17-15-36)28(40)42-30(5,6)7)18-31-21(19-12-10-9-11-13-19)22(24)32-26(38)23-25(35-43-34-23)33-27(39)41-29(2,3)4;1-8-33-17-14(31-9-11-32(12-10-31)22(35)37-24(5,6)7)13-26-18(25)15(17)27-20(33)16-19(30-38-29-16)28-21(34)36-23(2,3)4;1-2-28-18-14(27-10-8-22-9-11-27)12-23-15(13-6-4-3-5-7-13)16(18)24-20(28)17-19(21)26-29-25-17;1-5-23-10-7(16)6-18-11(17)8(10)19-13(23)9-12(22-26-21-9)20-14(24)25-15(2,3)4/h9-13,18H,8,14-17H2,1-7H3,(H,33,35,39);13H,8-12H2,1-7H3,(H,28,30,34);3-7,12,22H,2,8-11H2,1H3,(H2,21,26);6H,5H2,1-4H3,(H,20,22,24).

What are the key properties of tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?

tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 1973.86 g/mol, XLogP of 16.56, 16 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate;tert-butyl 4-[4-chloro-1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]imidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridin-7-yl]piperazine-1-carboxylate;4-(1-ethyl-4-phenyl-7-piperazin-1-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 159869979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).