3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol

C26H17FN4O2 — CID 137103051

IUPAC3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
SMILESOc1cccc(-c2cc3c(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H17FN4O2/c27-16-7-15(9-18(33)10-16)19-5-2-6-22-20(19)11-24(29-22)26-21-12-23(28-13-25(21)30-31-26)14-3-1-4-17(32)8-14/h1-13,29,32-33H,(H,30,31)
InChIKeyYVTSVDWNQVRTGW-UHFFFAOYSA-N
MW436.45 g/mol
LogP5.99
Rot. Bonds3

About 3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol

3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol (PubChem CID 137103051) has the molecular formula C26H17FN4O2 and a molecular weight of 436.45 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
PubChem CID137103051
Molecular FormulaC26H17FN4O2
Molecular Weight436.45 g/mol
Exact Mass436.13
IUPAC Name3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
SMILESOc1cccc(-c2cc3c(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H17FN4O2/c27-16-7-15(9-18(33)10-16)19-5-2-6-22-20(19)11-24(29-22)26-21-12-23(28-13-25(21)30-31-26)14-3-1-4-17(32)8-14/h1-13,29,32-33H,(H,30,31)
InChIKeyYVTSVDWNQVRTGW-UHFFFAOYSA-N
XLogP5.99
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 55.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol (CID 137103051) is 3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol is Oc1cccc(-c2cc3c(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol?
The InChIKey is YVTSVDWNQVRTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN4O2/c27-16-7-15(9-18(33)10-16)19-5-2-6-22-20(19)11-24(29-22)26-21-12-23(28-13-25(21)30-31-26)14-3-1-4-17(32)8-14/h1-13,29,32-33H,(H,30,31).
What are the key properties of 3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol?
3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol has a molecular weight of 436.45 g/mol, XLogP of 5.99, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol is sourced from PubChem (CID 137103051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).