5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol

C19H23N7O2 — CID 25071204

IUPAC5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol
SMILESOc1cncc(-c2nc(N3CCOCC3)c3ncn(C4CCNCC4)c3n2)c1
InChIInChI=1S/C19H23N7O2/c27-15-9-13(10-21-11-15)17-23-18(25-5-7-28-8-6-25)16-19(24-17)26(12-22-16)14-1-3-20-4-2-14/h9-12,14,20,27H,1-8H2
InChIKeyVLNLIVDYHRPHDN-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.36
Rot. Bonds3

About 5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol

5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol (PubChem CID 25071204) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol
PubChem CID25071204
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol
SMILESOc1cncc(-c2nc(N3CCOCC3)c3ncn(C4CCNCC4)c3n2)c1
InChIInChI=1S/C19H23N7O2/c27-15-9-13(10-21-11-15)17-23-18(25-5-7-28-8-6-25)16-19(24-17)26(12-22-16)14-1-3-20-4-2-14/h9-12,14,20,27H,1-8H2
InChIKeyVLNLIVDYHRPHDN-UHFFFAOYSA-N
XLogP1.36
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol?
The IUPAC name of 5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol (CID 25071204) is 5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol.
What is the SMILES notation for 5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol?
The canonical SMILES for 5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol is Oc1cncc(-c2nc(N3CCOCC3)c3ncn(C4CCNCC4)c3n2)c1.
What is the InChIKey of 5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol?
The InChIKey is VLNLIVDYHRPHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c27-15-9-13(10-21-11-15)17-23-18(25-5-7-28-8-6-25)16-19(24-17)26(12-22-16)14-1-3-20-4-2-14/h9-12,14,20,27H,1-8H2.
What are the key properties of 5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol?
5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol has a molecular weight of 381.44 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)pyridin-3-ol is sourced from PubChem (CID 25071204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).