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1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide

C28H18FN5O2 — CID 152667766

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc2c1ccn2C1c2ccccc2-c2c(-c3nc4cc(O)c(F)cc4[nH]3)cccc21
InChIInChI=1S/C28H18FN5O2/c29-20-12-21-22(13-23(20)35)33-27(32-21)19-7-3-6-18-24(19)14-4-1-2-5-15(14)25(18)34-11-9-17-16(26(30)36)8-10-31-28(17)34/h1-13,25,35H,(H2,30,36)(H,32,33)
InChIKeyZKWLXYRJQJQVFT-UHFFFAOYSA-N
MW475.48 g/mol
LogP5.14
Rot. Bonds3

About 1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide

1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 152667766) has the molecular formula C28H18FN5O2 and a molecular weight of 475.48 g/mol. Its IUPAC name is 1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID152667766
Molecular FormulaC28H18FN5O2
Molecular Weight475.48 g/mol
Exact Mass475.14
IUPAC Name1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc2c1ccn2C1c2ccccc2-c2c(-c3nc4cc(O)c(F)cc4[nH]3)cccc21
InChIInChI=1S/C28H18FN5O2/c29-20-12-21-22(13-23(20)35)33-27(32-21)19-7-3-6-18-24(19)14-4-1-2-5-15(14)25(18)34-11-9-17-16(26(30)36)8-10-31-28(17)34/h1-13,25,35H,(H2,30,36)(H,32,33)
InChIKeyZKWLXYRJQJQVFT-UHFFFAOYSA-N
XLogP5.14
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.48
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of 1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide (CID 152667766) is 1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for 1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide is NC(=O)c1ccnc2c1ccn2C1c2ccccc2-c2c(-c3nc4cc(O)c(F)cc4[nH]3)cccc21.
What is the InChIKey of 1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is ZKWLXYRJQJQVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN5O2/c29-20-12-21-22(13-23(20)35)33-27(32-21)19-7-3-6-18-24(19)14-4-1-2-5-15(14)25(18)34-11-9-17-16(26(30)36)8-10-31-28(17)34/h1-13,25,35H,(H2,30,36)(H,32,33).
What are the key properties of 1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide?
1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 475.48 g/mol, XLogP of 5.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 152667766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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