3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol

C26H17FN4O — CID 137115763

IUPAC3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol
SMILESOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)c1
InChIInChI=1S/C26H17FN4O/c27-18-10-17(11-19(32)13-18)20-2-1-3-23-21(20)14-25(29-23)26-22-12-16(4-5-24(22)30-31-26)15-6-8-28-9-7-15/h1-14,29,32H,(H,30,31)
InChIKeyIEEGPTLHNIRLSL-UHFFFAOYSA-N
MW420.45 g/mol
LogP6.28
Rot. Bonds3

About 3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol

3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol (PubChem CID 137115763) has the molecular formula C26H17FN4O and a molecular weight of 420.45 g/mol. Its IUPAC name is 3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol
PubChem CID137115763
Molecular FormulaC26H17FN4O
Molecular Weight420.45 g/mol
Exact Mass420.14
IUPAC Name3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol
SMILESOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)c1
InChIInChI=1S/C26H17FN4O/c27-18-10-17(11-19(32)13-18)20-2-1-3-23-21(20)14-25(29-23)26-22-12-16(4-5-24(22)30-31-26)15-6-8-28-9-7-15/h1-14,29,32H,(H,30,31)
InChIKeyIEEGPTLHNIRLSL-UHFFFAOYSA-N
XLogP6.28
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.45
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol (CID 137115763) is 3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol is Oc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)c1.
What is the InChIKey of 3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol?
The InChIKey is IEEGPTLHNIRLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN4O/c27-18-10-17(11-19(32)13-18)20-2-1-3-23-21(20)14-25(29-23)26-22-12-16(4-5-24(22)30-31-26)15-6-8-28-9-7-15/h1-14,29,32H,(H,30,31).
What are the key properties of 3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol?
3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol has a molecular weight of 420.45 g/mol, XLogP of 6.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol is sourced from PubChem (CID 137115763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).