3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine

C23H23N5O — CID 67388861

IUPAC3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2cccc(CN3CCCCC3)c2)cc1-c1nc2ncccc2o1
InChIInChI=1S/C23H23N5O/c24-21-19(23-27-22-20(29-23)8-5-9-25-22)13-18(14-26-21)17-7-4-6-16(12-17)15-28-10-2-1-3-11-28/h4-9,12-14H,1-3,10-11,15H2,(H2,24,26)
InChIKeyVDNKRXRXWWEVJA-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.52
Rot. Bonds4

About 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine

3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine (PubChem CID 67388861) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine
PubChem CID67388861
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2cccc(CN3CCCCC3)c2)cc1-c1nc2ncccc2o1
InChIInChI=1S/C23H23N5O/c24-21-19(23-27-22-20(29-23)8-5-9-25-22)13-18(14-26-21)17-7-4-6-16(12-17)15-28-10-2-1-3-11-28/h4-9,12-14H,1-3,10-11,15H2,(H2,24,26)
InChIKeyVDNKRXRXWWEVJA-UHFFFAOYSA-N
XLogP4.52
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine (CID 67388861) is 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine is Nc1ncc(-c2cccc(CN3CCCCC3)c2)cc1-c1nc2ncccc2o1.
What is the InChIKey of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine?
The InChIKey is VDNKRXRXWWEVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c24-21-19(23-27-22-20(29-23)8-5-9-25-22)13-18(14-26-21)17-7-4-6-16(12-17)15-28-10-2-1-3-11-28/h4-9,12-14H,1-3,10-11,15H2,(H2,24,26).
What are the key properties of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine?
3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine has a molecular weight of 385.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 67388861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).