3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine

C24H26N2O — CID 132518668

IUPAC3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine
SMILESCOc1ccc(C2C3C[C@@H]4C[C@H](C3)CC2(c2ncc3ccccn23)C4)cc1
InChIInChI=1S/C24H26N2O/c1-27-21-7-5-18(6-8-21)22-19-11-16-10-17(12-19)14-24(22,13-16)23-25-15-20-4-2-3-9-26(20)23/h2-9,15-17,19,22H,10-14H2,1H3/t16-,17+,19?,22?,24?
InChIKeyALZGXMAZLZJIMZ-UBXVPBCRSA-N
MW358.49 g/mol
LogP5.20
Rot. Bonds3

About 3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine

3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine (PubChem CID 132518668) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine
PubChem CID132518668
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine
SMILESCOc1ccc(C2C3C[C@@H]4C[C@H](C3)CC2(c2ncc3ccccn23)C4)cc1
InChIInChI=1S/C24H26N2O/c1-27-21-7-5-18(6-8-21)22-19-11-16-10-17(12-19)14-24(22,13-16)23-25-15-20-4-2-3-9-26(20)23/h2-9,15-17,19,22H,10-14H2,1H3/t16-,17+,19?,22?,24?
InChIKeyALZGXMAZLZJIMZ-UBXVPBCRSA-N
XLogP5.20
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine (CID 132518668) is 3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine is COc1ccc(C2C3C[C@@H]4C[C@H](C3)CC2(c2ncc3ccccn23)C4)cc1.
What is the InChIKey of 3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine?
The InChIKey is ALZGXMAZLZJIMZ-UBXVPBCRSA-N. The full InChI is InChI=1S/C24H26N2O/c1-27-21-7-5-18(6-8-21)22-19-11-16-10-17(12-19)14-24(22,13-16)23-25-15-20-4-2-3-9-26(20)23/h2-9,15-17,19,22H,10-14H2,1H3/t16-,17+,19?,22?,24?.
What are the key properties of 3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine?
3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine has a molecular weight of 358.49 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S,7R)-2-(4-methoxyphenyl)-1-adamantyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 132518668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).