(1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol

C24H28N2O2 — CID 70712219

IUPAC(1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol
SMILESO[C@@H]1C[C@H](O)C12CCN(Cc1ccc3ccn(Cc4ccccc4)c3c1)CC2
InChIInChI=1S/C24H28N2O2/c27-22-15-23(28)24(22)9-12-25(13-10-24)16-19-6-7-20-8-11-26(21(20)14-19)17-18-4-2-1-3-5-18/h1-8,11,14,22-23,27-28H,9-10,12-13,15-17H2/t22-,23+
InChIKeyNHYOSJZHJKOSFY-ZRZAMGCNSA-N
MW376.50 g/mol
LogP3.40
Rot. Bonds4

About (1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol

(1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol (PubChem CID 70712219) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol.

Molecular Properties

Compound Name(1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol
PubChem CID70712219
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol
SMILESO[C@@H]1C[C@H](O)C12CCN(Cc1ccc3ccn(Cc4ccccc4)c3c1)CC2
InChIInChI=1S/C24H28N2O2/c27-22-15-23(28)24(22)9-12-25(13-10-24)16-19-6-7-20-8-11-26(21(20)14-19)17-18-4-2-1-3-5-18/h1-8,11,14,22-23,27-28H,9-10,12-13,15-17H2/t22-,23+
InChIKeyNHYOSJZHJKOSFY-ZRZAMGCNSA-N
XLogP3.40
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol?
The IUPAC name of (1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol (CID 70712219) is (1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol.
What is the SMILES notation for (1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol?
The canonical SMILES for (1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol is O[C@@H]1C[C@H](O)C12CCN(Cc1ccc3ccn(Cc4ccccc4)c3c1)CC2.
What is the InChIKey of (1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol?
The InChIKey is NHYOSJZHJKOSFY-ZRZAMGCNSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-22-15-23(28)24(22)9-12-25(13-10-24)16-19-6-7-20-8-11-26(21(20)14-19)17-18-4-2-1-3-5-18/h1-8,11,14,22-23,27-28H,9-10,12-13,15-17H2/t22-,23+.
What are the key properties of (1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol?
(1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol has a molecular weight of 376.50 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-7-[(1-benzylindol-6-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol is sourced from PubChem (CID 70712219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).