3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C26H24N6O2 — CID 72725161

IUPAC3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(Oc3ccccc3)cc2o1
InChIInChI=1S/C26H24N6O2/c27-25-22(12-17(14-29-25)18-15-30-32(16-18)19-8-10-28-11-9-19)26-31-23-7-6-21(13-24(23)34-26)33-20-4-2-1-3-5-20/h1-7,12-16,19,28H,8-11H2,(H2,27,29)
InChIKeyNOOAMZJSIXZYCJ-UHFFFAOYSA-N
MW452.52 g/mol
LogP5.05
Rot. Bonds5

About 3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 72725161) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID72725161
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(Oc3ccccc3)cc2o1
InChIInChI=1S/C26H24N6O2/c27-25-22(12-17(14-29-25)18-15-30-32(16-18)19-8-10-28-11-9-19)26-31-23-7-6-21(13-24(23)34-26)33-20-4-2-1-3-5-20/h1-7,12-16,19,28H,8-11H2,(H2,27,29)
InChIKeyNOOAMZJSIXZYCJ-UHFFFAOYSA-N
XLogP5.05
TPSA104.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 72725161) is 3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(Oc3ccccc3)cc2o1.
What is the InChIKey of 3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is NOOAMZJSIXZYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c27-25-22(12-17(14-29-25)18-15-30-32(16-18)19-8-10-28-11-9-19)26-31-23-7-6-21(13-24(23)34-26)33-20-4-2-1-3-5-20/h1-7,12-16,19,28H,8-11H2,(H2,27,29).
What are the key properties of 3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 452.52 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 72725161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).