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

C25H16FN5O — CID 137115013

IUPAC5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C25H16FN5O/c26-16-4-1-3-14(9-16)18-5-2-6-21-19(18)11-23(28-21)25-24-22(30-31-25)8-7-20(29-24)15-10-17(32)13-27-12-15/h1-13,28,32H,(H,30,31)
InChIKeyXCARFDIQCYBWPK-UHFFFAOYSA-N
MW421.44 g/mol
LogP5.68
Rot. Bonds3

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

5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (PubChem CID 137115013) has the molecular formula C25H16FN5O and a molecular weight of 421.44 g/mol. Its IUPAC name is 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
PubChem CID137115013
Molecular FormulaC25H16FN5O
Molecular Weight421.44 g/mol
Exact Mass421.13
IUPAC Name5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C25H16FN5O/c26-16-4-1-3-14(9-16)18-5-2-6-21-19(18)11-23(28-21)25-24-22(30-31-25)8-7-20(29-24)15-10-17(32)13-27-12-15/h1-13,28,32H,(H,30,31)
InChIKeyXCARFDIQCYBWPK-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-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (CID 137115013) is 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)c3n2)c1.
What is the InChIKey of 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
The InChIKey is XCARFDIQCYBWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN5O/c26-16-4-1-3-14(9-16)18-5-2-6-21-19(18)11-23(28-21)25-24-22(30-31-25)8-7-20(29-24)15-10-17(32)13-27-12-15/h1-13,28,32H,(H,30,31).
What are the key properties of 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]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-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137115013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).