3-tert-butyl-N-[[4-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-[3-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

C60H54F2N14O6 — CID 174372798

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

3-tert-butyl-N-[[4-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-[3-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 174372798) has the molecular formula C60H54F2N14O6 and a molecular weight of 1105.18 g/mol. Its IUPAC name is 3-tert-butyl-N-[[4-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-[3-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[[4-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-[3-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 174372798
• Molecular Formula: C60H54F2N14O6
• Molecular Weight: 1105.18 g/mol
• Exact Mass: 1104.43
• IUPAC Name: 3-tert-butyl-N-[[4-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-[3-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: C=CC(=O)Nc1cc(-c2cnc3[nH]c(-c4cccc(C)c4NC(=O)C=C)nc3c2-c2ccc(CNC(=O)c3nc(C(C)(C)C)no3)c(F)c2)c(C)cc1-c1nc2c(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(F)c3)ccnc2[nH]1
• InChI: InChI=1S/C60H54F2N14O6/c1-11-43(77)67-42-25-37(30(4)22-38(42)50-69-47-35(20-21-63-51(47)72-50)31-16-18-33(40(61)23-31)26-65-53(79)55-73-57(75-81-55)59(5,6)7)39-28-64-52-48(70-49(71-52)36-15-13-14-29(3)46(36)68-44(78)12-2)45(39)32-17-19-34(41(62)24-32)27-66-54(80)56-74-58(76-82-56)60(8,9)10/h11-25,28H,1-2,26-27H2,3-10H3,(H,65,79)(H,66,80)(H,67,77)(H,68,78)(H,63,69,72)(H,64,70,71)
• InChIKey: IIYWXYWHAKQMBL-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 277.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1105.18
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-tert-butyl-N-[[4-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-[3-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 174372798) is 3-tert-butyl-N-[[4-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-[3-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

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

The canonical SMILES for 3-tert-butyl-N-[[4-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-[3-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is C=CC(=O)Nc1cc(-c2cnc3[nH]c(-c4cccc(C)c4NC(=O)C=C)nc3c2-c2ccc(CNC(=O)c3nc(C(C)(C)C)no3)c(F)c2)c(C)cc1-c1nc2c(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(F)c3)ccnc2[nH]1.

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

The InChIKey is IIYWXYWHAKQMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54F2N14O6/c1-11-43(77)67-42-25-37(30(4)22-38(42)50-69-47-35(20-21-63-51(47)72-50)31-16-18-33(40(61)23-31)26-65-53(79)55-73-57(75-81-55)59(5,6)7)39-28-64-52-48(70-49(71-52)36-15-13-14-29(3)46(36)68-44(78)12-2)45(39)32-17-19-34(41(62)24-32)27-66-54(80)56-74-58(76-82-56)60(8,9)10/h11-25,28H,1-2,26-27H2,3-10H3,(H,65,79)(H,66,80)(H,67,77)(H,68,78)(H,63,69,72)(H,64,70,71).

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

3-tert-butyl-N-[[4-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-[3-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 1105.18 g/mol, XLogP of 10.93, 15 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[[4-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-[3-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-2-(prop-2-enoylamino)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 174372798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).