tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine

C79H87N21O7+2 — CID 159985270

About tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine

tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine (PubChem CID 159985270) has the molecular formula C79H87N21O7+2 and a molecular weight of 1442.70 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine
• PubChem CID: 159985270
• Molecular Formula: C79H87N21O7+2
• Molecular Weight: 1442.70 g/mol
• Exact Mass: 1441.71
• IUPAC Name: tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine
• SMILES: CCOC(=O)c1noc(C(C)(C)C)n1.C[n+]1cc(-c2nc3nccc(-c4ccc(C5(CC(=O)c6noc(C(C)(C)C)n6)CC5)cc4)c3[nH]2)c[nH]1.C[n+]1cc(-c2nc3nccc(-c4ccc(C5(N)CC5)cc4)c3[nH]2)c[nH]1.Cn1cc(-c2nc3nccc(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)cc4)c3[nH]2)cn1
• InChI: InChI=1S/C27H27N7O2.C24H26N6O2.C19H18N6.C9H14N2O3/c1-26(2,3)25-32-23(33-36-25)20(35)13-27(10-11-27)18-7-5-16(6-8-18)19-9-12-28-24-21(19)30-22(31-24)17-14-29-34(4)15-17;1-23(2,3)32-22(31)29-24(10-11-24)17-7-5-15(6-8-17)18-9-12-25-21-19(18)27-20(28-21)16-13-26-30(4)14-16;1-25-11-13(10-22-25)17-23-16-15(6-9-21-18(16)24-17)12-2-4-14(5-3-12)19(20)7-8-19;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4/h5-9,12,14-15H,10-11,13H2,1-4H3,(H,28,30,31);5-9,12-14H,10-11H2,1-4H3,(H,29,31)(H,25,27,28);2-6,9-11H,7-8,20H2,1H3,(H,21,23,24);5H2,1-4H3/p+2
• InChIKey: XCEUIQWCEHPFGW-UHFFFAOYSA-P
• XLogP: 12.90
• TPSA: 367.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1442.70
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine?

The IUPAC name of tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine (CID 159985270) is tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine.

What is the SMILES notation for tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine?

The canonical SMILES for tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine is CCOC(=O)c1noc(C(C)(C)C)n1.C[n+]1cc(-c2nc3nccc(-c4ccc(C5(CC(=O)c6noc(C(C)(C)C)n6)CC5)cc4)c3[nH]2)c[nH]1.C[n+]1cc(-c2nc3nccc(-c4ccc(C5(N)CC5)cc4)c3[nH]2)c[nH]1.Cn1cc(-c2nc3nccc(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)cc4)c3[nH]2)cn1.

What is the InChIKey of tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine?

The InChIKey is XCEUIQWCEHPFGW-UHFFFAOYSA-P. The full InChI is InChI=1S/C27H27N7O2.C24H26N6O2.C19H18N6.C9H14N2O3/c1-26(2,3)25-32-23(33-36-25)20(35)13-27(10-11-27)18-7-5-16(6-8-18)19-9-12-28-24-21(19)30-22(31-24)17-14-29-34(4)15-17;1-23(2,3)32-22(31)29-24(10-11-24)17-7-5-15(6-8-17)18-9-12-25-21-19(18)27-20(28-21)16-13-26-30(4)14-16;1-25-11-13(10-22-25)17-23-16-15(6-9-21-18(16)24-17)12-2-4-14(5-3-12)19(20)7-8-19;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4/h5-9,12,14-15H,10-11,13H2,1-4H3,(H,28,30,31);5-9,12-14H,10-11H2,1-4H3,(H,29,31)(H,25,27,28);2-6,9-11H,7-8,20H2,1H3,(H,21,23,24);5H2,1-4H3/p+2.

What are the key properties of tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine?

tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine has a molecular weight of 1442.70 g/mol, XLogP of 12.90, 15 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[4-[2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine is sourced from PubChem (CID 159985270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).