3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol

C18H14N4O — CID 15604054

IUPAC3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol
SMILESOc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ncc23)c1
InChIInChI=1S/C18H14N4O/c23-15-8-12(16-4-1-5-18-17(16)11-20-22-18)7-14(9-15)21-13-3-2-6-19-10-13/h1-11,21,23H,(H,20,22)
InChIKeyJBZSQPHQWHFURC-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.07
Rot. Bonds3

About 3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol

3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol (PubChem CID 15604054) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol.

Molecular Properties

Compound Name3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol
PubChem CID15604054
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol
SMILESOc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ncc23)c1
InChIInChI=1S/C18H14N4O/c23-15-8-12(16-4-1-5-18-17(16)11-20-22-18)7-14(9-15)21-13-3-2-6-19-10-13/h1-11,21,23H,(H,20,22)
InChIKeyJBZSQPHQWHFURC-UHFFFAOYSA-N
XLogP4.07
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol?
The IUPAC name of 3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol (CID 15604054) is 3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol.
What is the SMILES notation for 3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol?
The canonical SMILES for 3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol is Oc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ncc23)c1.
What is the InChIKey of 3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol?
The InChIKey is JBZSQPHQWHFURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-15-8-12(16-4-1-5-18-17(16)11-20-22-18)7-14(9-15)21-13-3-2-6-19-10-13/h1-11,21,23H,(H,20,22).
What are the key properties of 3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol?
3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol has a molecular weight of 302.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol is sourced from PubChem (CID 15604054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).