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

C26H24N6O — CID 72724699

IUPAC3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C26H24N6O/c27-25-22(12-19(14-29-25)20-15-30-32(16-20)21-8-10-28-11-9-21)26-31-23-13-18(6-7-24(23)33-26)17-4-2-1-3-5-17/h1-7,12-16,21,28H,8-11H2,(H2,27,29)
InChIKeyUDDROBNDWLLXDO-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.93
Rot. Bonds4

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

3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 72724699) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID72724699
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C26H24N6O/c27-25-22(12-19(14-29-25)20-15-30-32(16-20)21-8-10-28-11-9-21)26-31-23-13-18(6-7-24(23)33-26)17-4-2-1-3-5-17/h1-7,12-16,21,28H,8-11H2,(H2,27,29)
InChIKeyUDDROBNDWLLXDO-UHFFFAOYSA-N
XLogP4.93
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 72724699) is 3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(-c3ccccc3)ccc2o1.
What is the InChIKey of 3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is UDDROBNDWLLXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c27-25-22(12-19(14-29-25)20-15-30-32(16-20)21-8-10-28-11-9-21)26-31-23-13-18(6-7-24(23)33-26)17-4-2-1-3-5-17/h1-7,12-16,21,28H,8-11H2,(H2,27,29).
What are the key properties of 3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 436.52 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 72724699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).