2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide

C37H33ClF3N7O3 — CID 169168318

About 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide

2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide (PubChem CID 169168318) has the molecular formula C37H33ClF3N7O3 and a molecular weight of 716.16 g/mol. Its IUPAC name is 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide.

Molecular Properties

• Compound Name: 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide
• PubChem CID: 169168318
• Molecular Formula: C37H33ClF3N7O3
• Molecular Weight: 716.16 g/mol
• Exact Mass: 715.23
• IUPAC Name: 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide
• SMILES: Fc1cc(Cl)ccc1COc1cccc(C2=CCN(Cc3nc4ccc(-c5ccc6c(c5)c(F)nn6F)cc4n3CC3CCO3)CC2)n1.NC=O
• InChI: InChI=1S/C36H30ClF3N6O2.CH3NO/c37-26-7-4-25(29(38)18-26)21-48-35-3-1-2-30(42-35)22-10-13-44(14-11-22)20-34-41-31-8-5-24(17-33(31)45(34)19-27-12-15-47-27)23-6-9-32-28(16-23)36(39)43-46(32)40;2-1-3/h1-10,16-18,27H,11-15,19-21H2;1H,(H2,2,3)
• InChIKey: MVJAIQOHXSIDDD-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 113.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.16
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide?

The IUPAC name of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide (CID 169168318) is 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide.

What is the SMILES notation for 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide?

The canonical SMILES for 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide is Fc1cc(Cl)ccc1COc1cccc(C2=CCN(Cc3nc4ccc(-c5ccc6c(c5)c(F)nn6F)cc4n3CC3CCO3)CC2)n1.NC=O.

What is the InChIKey of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide?

The InChIKey is MVJAIQOHXSIDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30ClF3N6O2.CH3NO/c37-26-7-4-25(29(38)18-26)21-48-35-3-1-2-30(42-35)22-10-13-44(14-11-22)20-34-41-31-8-5-24(17-33(31)45(34)19-27-12-15-47-27)23-6-9-32-28(16-23)36(39)43-46(32)40;2-1-3/h1-10,16-18,27H,11-15,19-21H2;1H,(H2,2,3).

What are the key properties of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide?

2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide has a molecular weight of 716.16 g/mol, XLogP of 6.87, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(1,3-difluoroindazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole;formamide is sourced from PubChem (CID 169168318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).