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

C25H29N7O — CID 72725616

IUPAC3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(N3CCCCC3)ccc2o1
InChIInChI=1S/C25H29N7O/c26-24-21(12-17(14-28-24)18-15-29-32(16-18)19-6-8-27-9-7-19)25-30-22-13-20(4-5-23(22)33-25)31-10-2-1-3-11-31/h4-5,12-16,19,27H,1-3,6-11H2,(H2,26,28)
InChIKeyPOEIXYXZODKFHQ-UHFFFAOYSA-N
MW443.56 g/mol
LogP4.25
Rot. Bonds4

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

3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 72725616) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID72725616
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(N3CCCCC3)ccc2o1
InChIInChI=1S/C25H29N7O/c26-24-21(12-17(14-28-24)18-15-29-32(16-18)19-6-8-27-9-7-19)25-30-22-13-20(4-5-23(22)33-25)31-10-2-1-3-11-31/h4-5,12-16,19,27H,1-3,6-11H2,(H2,26,28)
InChIKeyPOEIXYXZODKFHQ-UHFFFAOYSA-N
XLogP4.25
TPSA98.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 72725616) is 3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(N3CCCCC3)ccc2o1.
What is the InChIKey of 3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is POEIXYXZODKFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c26-24-21(12-17(14-28-24)18-15-29-32(16-18)19-6-8-27-9-7-19)25-30-22-13-20(4-5-23(22)33-25)31-10-2-1-3-11-31/h4-5,12-16,19,27H,1-3,6-11H2,(H2,26,28).
What are the key properties of 3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 443.56 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 72725616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).