(1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol

C17H27N3O3 — CID 99610576

IUPAC(1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCN(c1cncc(OC(C)C)n1)CC2
InChIInChI=1S/C17H27N3O3/c1-4-22-14-9-13(21)17(14)5-7-20(8-6-17)15-10-18-11-16(19-15)23-12(2)3/h10-14,21H,4-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyHINPZSJHQGMWCS-UONOGXRCSA-N
MW321.42 g/mol
LogP2.02
Rot. Bonds5

About (1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol

(1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 99610576) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID99610576
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCN(c1cncc(OC(C)C)n1)CC2
InChIInChI=1S/C17H27N3O3/c1-4-22-14-9-13(21)17(14)5-7-20(8-6-17)15-10-18-11-16(19-15)23-12(2)3/h10-14,21H,4-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyHINPZSJHQGMWCS-UONOGXRCSA-N
XLogP2.02
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol (CID 99610576) is (1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol is CCO[C@@H]1C[C@H](O)C12CCN(c1cncc(OC(C)C)n1)CC2.
What is the InChIKey of (1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is HINPZSJHQGMWCS-UONOGXRCSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-22-14-9-13(21)17(14)5-7-20(8-6-17)15-10-18-11-16(19-15)23-12(2)3/h10-14,21H,4-9H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol?
(1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 321.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 99610576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).