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

C27H26N6O2 — CID 72725039

IUPAC3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C27H26N6O2/c28-26-23(12-19(14-30-26)20-15-31-33(16-20)21-8-10-29-11-9-21)27-32-24-7-6-22(13-25(24)35-27)34-17-18-4-2-1-3-5-18/h1-7,12-16,21,29H,8-11,17H2,(H2,28,30)
InChIKeyNGMYMNZQXUETFT-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.84
Rot. Bonds6

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

3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 72725039) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID72725039
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C27H26N6O2/c28-26-23(12-19(14-30-26)20-15-31-33(16-20)21-8-10-29-11-9-21)27-32-24-7-6-22(13-25(24)35-27)34-17-18-4-2-1-3-5-18/h1-7,12-16,21,29H,8-11,17H2,(H2,28,30)
InChIKeyNGMYMNZQXUETFT-UHFFFAOYSA-N
XLogP4.84
TPSA104.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 72725039) is 3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(OCc3ccccc3)cc2o1.
What is the InChIKey of 3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is NGMYMNZQXUETFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c28-26-23(12-19(14-30-26)20-15-31-33(16-20)21-8-10-29-11-9-21)27-32-24-7-6-22(13-25(24)35-27)34-17-18-4-2-1-3-5-18/h1-7,12-16,21,29H,8-11,17H2,(H2,28,30).
What are the key properties of 3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 466.55 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylmethoxy-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 72725039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).