5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine

C20H23NO — CID 175926462

IUPAC5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine
SMILES[2H]C1c2ccccc2CC12CCC(c1ccc(OC)nc1)CC2
InChIInChI=1S/C20H23NO/c1-22-19-7-6-18(14-21-19)15-8-10-20(11-9-15)12-16-4-2-3-5-17(16)13-20/h2-7,14-15H,8-13H2,1H3/i12D
InChIKeyYGYZJUCZNBCSNA-UQBWLURTSA-N
MW294.42 g/mol
LogP4.53
Rot. Bonds2

About 5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine

5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine (PubChem CID 175926462) has the molecular formula C20H23NO and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine.

Molecular Properties

Compound Name5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine
PubChem CID175926462
Molecular FormulaC20H23NO
Molecular Weight294.42 g/mol
Exact Mass294.18
IUPAC Name5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine
SMILES[2H]C1c2ccccc2CC12CCC(c1ccc(OC)nc1)CC2
InChIInChI=1S/C20H23NO/c1-22-19-7-6-18(14-21-19)15-8-10-20(11-9-15)12-16-4-2-3-5-17(16)13-20/h2-7,14-15H,8-13H2,1H3/i12D
InChIKeyYGYZJUCZNBCSNA-UQBWLURTSA-N
XLogP4.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine?
The IUPAC name of 5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine (CID 175926462) is 5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine.
What is the SMILES notation for 5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine?
The canonical SMILES for 5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine is [2H]C1c2ccccc2CC12CCC(c1ccc(OC)nc1)CC2.
What is the InChIKey of 5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine?
The InChIKey is YGYZJUCZNBCSNA-UQBWLURTSA-N. The full InChI is InChI=1S/C20H23NO/c1-22-19-7-6-18(14-21-19)15-8-10-20(11-9-15)12-16-4-2-3-5-17(16)13-20/h2-7,14-15H,8-13H2,1H3/i12D.
What are the key properties of 5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine?
5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine has a molecular weight of 294.42 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-deuteriospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)-2-methoxypyridine is sourced from PubChem (CID 175926462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).