8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine

C15H19N7O — CID 123615721

IUPAC8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine
SMILESCCn1ncc(-c2nc3ncnc(OC4CCNC4)c3[nH]2)c1C
InChIInChI=1S/C15H19N7O/c1-3-22-9(2)11(7-19-22)13-20-12-14(21-13)17-8-18-15(12)23-10-4-5-16-6-10/h7-8,10,16H,3-6H2,1-2H3,(H,17,18,20,21)
InChIKeyYPJITZIQMKKKLG-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.29
Rot. Bonds4

About 8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine

8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine (PubChem CID 123615721) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine.

Molecular Properties

Compound Name8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine
PubChem CID123615721
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine
SMILESCCn1ncc(-c2nc3ncnc(OC4CCNC4)c3[nH]2)c1C
InChIInChI=1S/C15H19N7O/c1-3-22-9(2)11(7-19-22)13-20-12-14(21-13)17-8-18-15(12)23-10-4-5-16-6-10/h7-8,10,16H,3-6H2,1-2H3,(H,17,18,20,21)
InChIKeyYPJITZIQMKKKLG-UHFFFAOYSA-N
XLogP1.29
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine?
The IUPAC name of 8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine (CID 123615721) is 8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine.
What is the SMILES notation for 8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine?
The canonical SMILES for 8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine is CCn1ncc(-c2nc3ncnc(OC4CCNC4)c3[nH]2)c1C.
What is the InChIKey of 8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine?
The InChIKey is YPJITZIQMKKKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-3-22-9(2)11(7-19-22)13-20-12-14(21-13)17-8-18-15(12)23-10-4-5-16-6-10/h7-8,10,16H,3-6H2,1-2H3,(H,17,18,20,21).
What are the key properties of 8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine?
8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine has a molecular weight of 313.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine is sourced from PubChem (CID 123615721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).