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

C79H82F3N21O7 — CID 158710130

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

tert-butyl N-[1-[2-fluoro-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-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine (PubChem CID 158710130) has the molecular formula C79H82F3N21O7 and a molecular weight of 1494.66 g/mol. Its IUPAC name is tert-butyl N-[1-[2-fluoro-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-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine.

Molecular Properties

• Compound Name: tert-butyl N-[1-[2-fluoro-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-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine
• PubChem CID: 158710130
• Molecular Formula: C79H82F3N21O7
• Molecular Weight: 1494.66 g/mol
• Exact Mass: 1493.67
• IUPAC Name: tert-butyl N-[1-[2-fluoro-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-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine
• SMILES: CCOC(=O)c1noc(C(C)(C)C)n1.Cn1cc(-c2nc3nccc(-c4ccc(C5(CC(=O)c6noc(C(C)(C)C)n6)CC5)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc(C5(N)CC5)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)c(F)c4)c3[nH]2)cn1
• InChI: InChI=1S/C27H26FN7O2.C24H25FN6O2.C19H17FN6.C9H14N2O3/c1-26(2,3)25-33-23(34-37-25)20(36)12-27(8-9-27)18-6-5-15(11-19(18)28)17-7-10-29-24-21(17)31-22(32-24)16-13-30-35(4)14-16;1-23(2,3)33-22(32)30-24(8-9-24)17-6-5-14(11-18(17)25)16-7-10-26-21-19(16)28-20(29-21)15-12-27-31(4)13-15;1-26-10-12(9-23-26)17-24-16-13(4-7-22-18(16)25-17)11-2-3-14(15(20)8-11)19(21)5-6-19;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4/h5-7,10-11,13-14H,8-9,12H2,1-4H3,(H,29,31,32);5-7,10-13H,8-9H2,1-4H3,(H,30,32)(H,26,28,29);2-4,7-10H,5-6,21H2,1H3,(H,22,24,25);5H2,1-4H3
• InChIKey: IIPOAABFNUHMRI-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 363.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1494.66
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[1-[2-fluoro-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-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine (CID 158710130) is tert-butyl N-[1-[2-fluoro-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-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine.

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

The canonical SMILES for tert-butyl N-[1-[2-fluoro-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-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine is CCOC(=O)c1noc(C(C)(C)C)n1.Cn1cc(-c2nc3nccc(-c4ccc(C5(CC(=O)c6noc(C(C)(C)C)n6)CC5)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc(C5(N)CC5)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)c(F)c4)c3[nH]2)cn1.

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

The InChIKey is IIPOAABFNUHMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O2.C24H25FN6O2.C19H17FN6.C9H14N2O3/c1-26(2,3)25-33-23(34-37-25)20(36)12-27(8-9-27)18-6-5-15(11-19(18)28)17-7-10-29-24-21(17)31-22(32-24)16-13-30-35(4)14-16;1-23(2,3)33-22(32)30-24(8-9-24)17-6-5-14(11-18(17)25)16-7-10-26-21-19(16)28-20(29-21)15-12-27-31(4)13-15;1-26-10-12(9-23-26)17-24-16-13(4-7-22-18(16)25-17)11-2-3-14(15(20)8-11)19(21)5-6-19;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4/h5-7,10-11,13-14H,8-9,12H2,1-4H3,(H,29,31,32);5-7,10-13H,8-9H2,1-4H3,(H,30,32)(H,26,28,29);2-4,7-10H,5-6,21H2,1H3,(H,22,24,25);5H2,1-4H3.

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

tert-butyl N-[1-[2-fluoro-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-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine has a molecular weight of 1494.66 g/mol, XLogP of 14.48, 15 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[2-fluoro-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-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;1-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropan-1-amine is sourced from PubChem (CID 158710130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).