N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide

C39H37F2N7O3 — CID 134503683

About N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide

N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide (PubChem CID 134503683) has the molecular formula C39H37F2N7O3 and a molecular weight of 689.77 g/mol. Its IUPAC name is N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide.

Molecular Properties

• Compound Name: N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide
• PubChem CID: 134503683
• Molecular Formula: C39H37F2N7O3
• Molecular Weight: 689.77 g/mol
• Exact Mass: 689.29
• IUPAC Name: N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide
• SMILES: CC1(CN(C=O)Cc2ncc(-c3ccc4c(c3)C(F)(F)c3cc(-c5ccc6nc([C@@H]7[C@H]8CC[C@H](C8)N7C(=O)CNC=O)[nH]c6c5)ccc3-4)[nH]2)CC1
• InChI: InChI=1S/C39H37F2N7O3/c1-38(10-11-38)19-47(21-50)18-34-43-16-33(44-34)24-4-8-28-27-7-3-22(13-29(27)39(40,41)30(28)14-24)23-5-9-31-32(15-23)46-37(45-31)36-25-2-6-26(12-25)48(36)35(51)17-42-20-49/h3-5,7-9,13-16,20-21,25-26,36H,2,6,10-12,17-19H2,1H3,(H,42,49)(H,43,44)(H,45,46)/t25-,26+,36-/m0/s1
• InChIKey: WFKWQNZTYKKIQK-QOCGDCEFSA-N
• XLogP: 6.30
• TPSA: 127.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.77
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide?

The IUPAC name of N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide (CID 134503683) is N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide.

What is the SMILES notation for N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide?

The canonical SMILES for N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide is CC1(CN(C=O)Cc2ncc(-c3ccc4c(c3)C(F)(F)c3cc(-c5ccc6nc([C@@H]7[C@H]8CC[C@H](C8)N7C(=O)CNC=O)[nH]c6c5)ccc3-4)[nH]2)CC1.

What is the InChIKey of N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide?

The InChIKey is WFKWQNZTYKKIQK-QOCGDCEFSA-N. The full InChI is InChI=1S/C39H37F2N7O3/c1-38(10-11-38)19-47(21-50)18-34-43-16-33(44-34)24-4-8-28-27-7-3-22(13-29(27)39(40,41)30(28)14-24)23-5-9-31-32(15-23)46-37(45-31)36-25-2-6-26(12-25)48(36)35(51)17-42-20-49/h3-5,7-9,13-16,20-21,25-26,36H,2,6,10-12,17-19H2,1H3,(H,42,49)(H,43,44)(H,45,46)/t25-,26+,36-/m0/s1.

What are the key properties of N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide?

N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide has a molecular weight of 689.77 g/mol, XLogP of 6.30, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[[formyl-[(1-methylcyclopropyl)methyl]amino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]formamide is sourced from PubChem (CID 134503683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).