6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine

C25H24FN3O — CID 118647564

IUPAC6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine
SMILESCc1ccc(-c2c(-c3ccc(F)cc3)cc(OC[C@@H]3CCNC3)c3cncn23)cc1
InChIInChI=1S/C25H24FN3O/c1-17-2-4-20(5-3-17)25-22(19-6-8-21(26)9-7-19)12-24(23-14-28-16-29(23)25)30-15-18-10-11-27-13-18/h2-9,12,14,16,18,27H,10-11,13,15H2,1H3/t18-/m1/s1
InChIKeyGCFRXNCOEKOVIS-GOSISDBHSA-N
MW401.49 g/mol
LogP5.10
Rot. Bonds5

About 6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine

6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine (PubChem CID 118647564) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine
PubChem CID118647564
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine
SMILESCc1ccc(-c2c(-c3ccc(F)cc3)cc(OC[C@@H]3CCNC3)c3cncn23)cc1
InChIInChI=1S/C25H24FN3O/c1-17-2-4-20(5-3-17)25-22(19-6-8-21(26)9-7-19)12-24(23-14-28-16-29(23)25)30-15-18-10-11-27-13-18/h2-9,12,14,16,18,27H,10-11,13,15H2,1H3/t18-/m1/s1
InChIKeyGCFRXNCOEKOVIS-GOSISDBHSA-N
XLogP5.10
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine?
The IUPAC name of 6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine (CID 118647564) is 6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine?
The canonical SMILES for 6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine is Cc1ccc(-c2c(-c3ccc(F)cc3)cc(OC[C@@H]3CCNC3)c3cncn23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine?
The InChIKey is GCFRXNCOEKOVIS-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-17-2-4-20(5-3-17)25-22(19-6-8-21(26)9-7-19)12-24(23-14-28-16-29(23)25)30-15-18-10-11-27-13-18/h2-9,12,14,16,18,27H,10-11,13,15H2,1H3/t18-/m1/s1.
What are the key properties of 6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine?
6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine has a molecular weight of 401.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine is sourced from PubChem (CID 118647564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).