[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol

C26H23FN4O2 — CID 155318292

IUPAC[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol
SMILESOCc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cn1
InChIInChI=1S/C26H23FN4O2/c27-19-2-5-21(6-3-19)31-24-11-18-14-29-30-23(18)12-22(24)25(17-1-4-20(15-32)28-13-17)26(31)16-7-9-33-10-8-16/h1-6,11-14,16,32H,7-10,15H2,(H,29,30)
InChIKeyRDQFPDGYTZFTBJ-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.09
Rot. Bonds4

About [5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol

[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol (PubChem CID 155318292) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is [5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol
PubChem CID155318292
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol
SMILESOCc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cn1
InChIInChI=1S/C26H23FN4O2/c27-19-2-5-21(6-3-19)31-24-11-18-14-29-30-23(18)12-22(24)25(17-1-4-20(15-32)28-13-17)26(31)16-7-9-33-10-8-16/h1-6,11-14,16,32H,7-10,15H2,(H,29,30)
InChIKeyRDQFPDGYTZFTBJ-UHFFFAOYSA-N
XLogP5.09
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol?
The IUPAC name of [5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol (CID 155318292) is [5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol is OCc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cn1.
What is the InChIKey of [5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol?
The InChIKey is RDQFPDGYTZFTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-19-2-5-21(6-3-19)31-24-11-18-14-29-30-23(18)12-22(24)25(17-1-4-20(15-32)28-13-17)26(31)16-7-9-33-10-8-16/h1-6,11-14,16,32H,7-10,15H2,(H,29,30).
What are the key properties of [5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol?
[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol has a molecular weight of 442.49 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 155318292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).