5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide

C50H45F2N15O2 — CID 149031334

About 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide

5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 149031334) has the molecular formula C50H45F2N15O2 and a molecular weight of 926.01 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 149031334
• Molecular Formula: C50H45F2N15O2
• Molecular Weight: 926.01 g/mol
• Exact Mass: 925.38
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
• SMILES: CN(Cc1cc(-c2ccc(CNCc3cccnc3)c(F)c2)c2[nH]c(-c3cnn(C)c3)nc2n1)c1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)nc1
• InChI: InChI=1S/C50H45F2N15O2/c1-50(2,3)49-65-64-48(69-49)47(68)57-23-32-11-8-29(17-39(32)52)36-14-16-55-45-41(36)61-44(63-45)40-13-12-35(25-56-40)66(4)27-34-19-37(42-46(59-34)62-43(60-42)33-24-58-67(5)26-33)30-9-10-31(38(51)18-30)22-54-21-28-7-6-15-53-20-28/h6-20,24-26,54H,21-23,27H2,1-5H3,(H,57,68)(H,55,61,63)(H,59,60,62)
• InChIKey: QFMOMSGAXHSINJ-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 210.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	926.01
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (CID 149031334) is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is CN(Cc1cc(-c2ccc(CNCc3cccnc3)c(F)c2)c2[nH]c(-c3cnn(C)c3)nc2n1)c1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)nc1.

What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is QFMOMSGAXHSINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H45F2N15O2/c1-50(2,3)49-65-64-48(69-49)47(68)57-23-32-11-8-29(17-39(32)52)36-14-16-55-45-41(36)61-44(63-45)40-13-12-35(25-56-40)66(4)27-34-19-37(42-46(59-34)62-43(60-42)33-24-58-67(5)26-33)30-9-10-31(38(51)18-30)22-54-21-28-7-6-15-53-20-28/h6-20,24-26,54H,21-23,27H2,1-5H3,(H,57,68)(H,55,61,63)(H,59,60,62).

What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 926.01 g/mol, XLogP of 8.24, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 149031334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).