5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C53H53F2N15O5 — CID 163773934

About 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 163773934) has the molecular formula C53H53F2N15O5 and a molecular weight of 1018.10 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 163773934
• Molecular Formula: C53H53F2N15O5
• Molecular Weight: 1018.10 g/mol
• Exact Mass: 1017.43
• IUPAC Name: 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CN(Cc1cc(-c2ccc(CNC(=O)c3cc(C(C)(C)C)no3)c(F)c2)c2[nH]c(-c3cnn(C)c3)nc2n1)C(=O)N1CC=C(c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)CC1
• InChI: InChI=1S/C53H53F2N15O5/c1-52(2,3)40-22-39(74-66-40)48(71)57-23-31-12-10-30(20-38(31)55)36-21-34(60-46-42(36)62-44(64-46)33-25-59-69(8)26-33)27-68(7)51(73)70-17-14-28(15-18-70)43-61-41-35(13-16-56-45(41)63-43)29-9-11-32(37(54)19-29)24-58-49(72)47-65-50(75-67-47)53(4,5)6/h9-14,16,19-22,25-26H,15,17-18,23-24,27H2,1-8H3,(H,57,71)(H,58,72)(H,56,61,63)(H,60,62,64)
• InChIKey: MITZDMPADYNJFR-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 247.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1018.10
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 163773934) is 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CN(Cc1cc(-c2ccc(CNC(=O)c3cc(C(C)(C)C)no3)c(F)c2)c2[nH]c(-c3cnn(C)c3)nc2n1)C(=O)N1CC=C(c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)CC1.

What is the InChIKey of 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is MITZDMPADYNJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H53F2N15O5/c1-52(2,3)40-22-39(74-66-40)48(71)57-23-31-12-10-30(20-38(31)55)36-21-34(60-46-42(36)62-44(64-46)33-25-59-69(8)26-33)27-68(7)51(73)70-17-14-28(15-18-70)43-61-41-35(13-16-56-45(41)63-43)29-9-11-32(37(54)19-29)24-58-49(72)47-65-50(75-67-47)53(4,5)6/h9-14,16,19-22,25-26H,15,17-18,23-24,27H2,1-8H3,(H,57,71)(H,58,72)(H,56,61,63)(H,60,62,64).

What are the key properties of 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 1018.10 g/mol, XLogP of 8.41, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 163773934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).