methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide

C44H49F3N8O4 — CID 144903650

About methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide

methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide (PubChem CID 144903650) has the molecular formula C44H49F3N8O4 and a molecular weight of 810.92 g/mol. Its IUPAC name is methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide.

Molecular Properties

• Compound Name: methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide
• PubChem CID: 144903650
• Molecular Formula: C44H49F3N8O4
• Molecular Weight: 810.92 g/mol
• Exact Mass: 810.38
• IUPAC Name: methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide
• SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CC6CCC5C6)[nH]4)cc3)cc2)[nH]1)C(C)C.O=CNCc1cccnc1C(F)(F)F
• InChI: InChI=1S/C36H42N6O3.C8H7F3N2O/c1-21(2)32(41-36(44)45-3)35(43)42-16-4-5-31(42)34-38-20-30(40-34)26-14-10-24(11-15-26)23-8-12-25(13-9-23)29-19-37-33(39-29)28-18-22-6-7-27(28)17-22;9-8(10,11)7-6(4-12-5-14)2-1-3-13-7/h8-15,19-22,27-28,31-32H,4-7,16-18H2,1-3H3,(H,37,39)(H,38,40)(H,41,44);1-3,5H,4H2,(H,12,14)
• InChIKey: WXBXLBAXZRKWAS-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 157.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.92
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide?

The IUPAC name of methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide (CID 144903650) is methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide.

What is the SMILES notation for methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide?

The canonical SMILES for methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide is COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CC6CCC5C6)[nH]4)cc3)cc2)[nH]1)C(C)C.O=CNCc1cccnc1C(F)(F)F.

What is the InChIKey of methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide?

The InChIKey is WXBXLBAXZRKWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N6O3.C8H7F3N2O/c1-21(2)32(41-36(44)45-3)35(43)42-16-4-5-31(42)34-38-20-30(40-34)26-14-10-24(11-15-26)23-8-12-25(13-9-23)29-19-37-33(39-29)28-18-22-6-7-27(28)17-22;9-8(10,11)7-6(4-12-5-14)2-1-3-13-7/h8-15,19-22,27-28,31-32H,4-7,16-18H2,1-3H3,(H,37,39)(H,38,40)(H,41,44);1-3,5H,4H2,(H,12,14).

What are the key properties of methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide?

methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide has a molecular weight of 810.92 g/mol, XLogP of 8.43, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-[5-[4-[4-[2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]formamide is sourced from PubChem (CID 144903650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).