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

C25H16FN5O — CID 137113164

IUPAC5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2cc3c(-c4cc5c(-c6ccccc6F)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C25H16FN5O/c26-20-6-2-1-4-17(20)16-5-3-7-21-18(16)9-23(29-21)25-19-10-22(28-13-24(19)30-31-25)14-8-15(32)12-27-11-14/h1-13,29,32H,(H,30,31)
InChIKeyGYHWOHDWQNCIOJ-UHFFFAOYSA-N
MW421.44 g/mol
LogP5.68
Rot. Bonds3

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

5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol (PubChem CID 137113164) has the molecular formula C25H16FN5O and a molecular weight of 421.44 g/mol. Its IUPAC name is 5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
PubChem CID137113164
Molecular FormulaC25H16FN5O
Molecular Weight421.44 g/mol
Exact Mass421.13
IUPAC Name5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2cc3c(-c4cc5c(-c6ccccc6F)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C25H16FN5O/c26-20-6-2-1-4-17(20)16-5-3-7-21-18(16)9-23(29-21)25-19-10-22(28-13-24(19)30-31-25)14-8-15(32)12-27-11-14/h1-13,29,32H,(H,30,31)
InChIKeyGYHWOHDWQNCIOJ-UHFFFAOYSA-N
XLogP5.68
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.44
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol (CID 137113164) is 5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2cc3c(-c4cc5c(-c6ccccc6F)cccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The InChIKey is GYHWOHDWQNCIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN5O/c26-20-6-2-1-4-17(20)16-5-3-7-21-18(16)9-23(29-21)25-19-10-22(28-13-24(19)30-31-25)14-8-15(32)12-27-11-14/h1-13,29,32H,(H,30,31).
What are the key properties of 5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol has a molecular weight of 421.44 g/mol, XLogP of 5.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137113164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).