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

C26H17FN4O — CID 137115554

IUPAC5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C26H17FN4O/c27-18-4-1-3-16(9-18)20-5-2-6-23-21(20)12-25(29-23)26-22-11-15(7-8-24(22)30-31-26)17-10-19(32)14-28-13-17/h1-14,29,32H,(H,30,31)
InChIKeyKUCZVOKLSCVNPM-UHFFFAOYSA-N
MW420.45 g/mol
LogP6.28
Rot. Bonds3

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

5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol (PubChem CID 137115554) has the molecular formula C26H17FN4O and a molecular weight of 420.45 g/mol. Its IUPAC name is 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
PubChem CID137115554
Molecular FormulaC26H17FN4O
Molecular Weight420.45 g/mol
Exact Mass420.14
IUPAC Name5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C26H17FN4O/c27-18-4-1-3-16(9-18)20-5-2-6-23-21(20)12-25(29-23)26-22-11-15(7-8-24(22)30-31-26)17-10-19(32)14-28-13-17/h1-14,29,32H,(H,30,31)
InChIKeyKUCZVOKLSCVNPM-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 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol (CID 137115554) is 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol is Oc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The InChIKey is KUCZVOKLSCVNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN4O/c27-18-4-1-3-16(9-18)20-5-2-6-23-21(20)12-25(29-23)26-22-11-15(7-8-24(22)30-31-26)17-10-19(32)14-28-13-17/h1-14,29,32H,(H,30,31).
What are the key properties of 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol 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 5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 137115554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).