(6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C28H28N2O3 — CID 15720249

IUPAC(6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESc1ccc(COC2Cn3cncc3[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C28H28N2O3/c1-4-10-22(11-5-1)18-31-26-17-30-21-29-16-25(30)27(32-19-23-12-6-2-7-13-23)28(26)33-20-24-14-8-3-9-15-24/h1-16,21,26-28H,17-20H2/t26?,27-,28-/m1/s1
InChIKeyNHIKXWVMOBHTIN-DXISBFFWSA-N
MW440.54 g/mol
LogP5.33
Rot. Bonds9

About (6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

(6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 15720249) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is (6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name(6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID15720249
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name(6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESc1ccc(COC2Cn3cncc3[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C28H28N2O3/c1-4-10-22(11-5-1)18-31-26-17-30-21-29-16-25(30)27(32-19-23-12-6-2-7-13-23)28(26)33-20-24-14-8-3-9-15-24/h1-16,21,26-28H,17-20H2/t26?,27-,28-/m1/s1
InChIKeyNHIKXWVMOBHTIN-DXISBFFWSA-N
XLogP5.33
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine with MolForge

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Related Compounds

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[(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane
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CID 11563051
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CID 11530497
(1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 11566573
1-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
CID 18426108
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Frequently Asked Questions

What is the IUPAC name of (6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of (6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 15720249) is (6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for (6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for (6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is c1ccc(COC2Cn3cncc3[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is NHIKXWVMOBHTIN-DXISBFFWSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-4-10-22(11-5-1)18-31-26-17-30-21-29-16-25(30)27(32-19-23-12-6-2-7-13-23)28(26)33-20-24-14-8-3-9-15-24/h1-16,21,26-28H,17-20H2/t26?,27-,28-/m1/s1.
What are the key properties of (6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
(6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 440.54 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 15720249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).