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

C26H17FN4O — CID 137103275

IUPAC3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cc3c(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H17FN4O/c27-17-6-1-4-15(10-17)19-8-3-9-22-20(19)12-24(29-22)26-21-13-23(28-14-25(21)30-31-26)16-5-2-7-18(32)11-16/h1-14,29,32H,(H,30,31)
InChIKeyHITRGJDUVNXUGY-UHFFFAOYSA-N
MW420.45 g/mol
LogP6.28
Rot. Bonds3

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

3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol (PubChem CID 137103275) has the molecular formula C26H17FN4O and a molecular weight of 420.45 g/mol. Its IUPAC name is 3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol
PubChem CID137103275
Molecular FormulaC26H17FN4O
Molecular Weight420.45 g/mol
Exact Mass420.14
IUPAC Name3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cc3c(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H17FN4O/c27-17-6-1-4-15(10-17)19-8-3-9-22-20(19)12-24(29-22)26-21-13-23(28-14-25(21)30-31-26)16-5-2-7-18(32)11-16/h1-14,29,32H,(H,30,31)
InChIKeyHITRGJDUVNXUGY-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-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol?
The IUPAC name of 3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol (CID 137103275) is 3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol.
What is the SMILES notation for 3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol?
The canonical SMILES for 3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol is Oc1cccc(-c2cc3c(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol?
The InChIKey is HITRGJDUVNXUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN4O/c27-17-6-1-4-15(10-17)19-8-3-9-22-20(19)12-24(29-22)26-21-13-23(28-14-25(21)30-31-26)16-5-2-7-18(32)11-16/h1-14,29,32H,(H,30,31).
What are the key properties of 3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol?
3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-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-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol is sourced from PubChem (CID 137103275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).