N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C₂₈H₁₈FN₅O — CID 15942461

About N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 15942461) has the molecular formula C₂₈H₁₈FN₅O and a molecular weight of 459.48 g/mol. Its IUPAC name is N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
• PubChem CID: 15942461
• Molecular Formula: C₂₈H₁₈FN₅O
• Molecular Weight: 459.48 g/mol
• Exact Mass: 459.15
• IUPAC Name: N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
• SMILES: O=C(NC1c2ccccc2-c2c(-c3nc4ccc(F)cc4[nH]3)cccc21)c1ccnc2[nH]ccc12
• InChI: InChI=1S/C28H18FN5O/c29-15-8-9-22-23(14-15)33-27(32-22)21-7-3-6-20-24(21)16-4-1-2-5-17(16)25(20)34-28(35)19-11-13-31-26-18(19)10-12-30-26/h1-14,25H,(H,30,31)(H,32,33)(H,34,35)
• InChIKey: JWSGPVAHPYSLBX-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.48
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?

The IUPAC name of N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 15942461) is N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?

The canonical SMILES for N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=C(NC1c2ccccc2-c2c(-c3nc4ccc(F)cc4[nH]3)cccc21)c1ccnc2[nH]ccc12.

What is the InChIKey of N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?

The InChIKey is JWSGPVAHPYSLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN5O/c29-15-8-9-22-23(14-15)33-27(32-22)21-7-3-6-20-24(21)16-4-1-2-5-17(16)25(20)34-28(35)19-11-13-31-26-18(19)10-12-30-26/h1-14,25H,(H,30,31)(H,32,33)(H,34,35).

What are the key properties of N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?

N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 459.48 g/mol, XLogP of 5.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 15942461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15942461 — identifiers, structure, computed properties (public domain)

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