4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

C26H23FN4O — CID 118647441

IUPAC4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCNC3)c3cncn23)c(F)c1
InChIInChI=1S/C26H23FN4O/c1-17-2-7-21(23(27)10-17)26-22(20-5-3-18(12-28)4-6-20)11-25(24-14-30-16-31(24)26)32-15-19-8-9-29-13-19/h2-7,10-11,14,16,19,29H,8-9,13,15H2,1H3/t19-/m1/s1
InChIKeyAMLWTBKMJWLDBE-LJQANCHMSA-N
MW426.50 g/mol
LogP4.98
Rot. Bonds5

About 4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647441) has the molecular formula C26H23FN4O and a molecular weight of 426.50 g/mol. Its IUPAC name is 4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647441
Molecular FormulaC26H23FN4O
Molecular Weight426.50 g/mol
Exact Mass426.19
IUPAC Name4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCNC3)c3cncn23)c(F)c1
InChIInChI=1S/C26H23FN4O/c1-17-2-7-21(23(27)10-17)26-22(20-5-3-18(12-28)4-6-20)11-25(24-14-30-16-31(24)26)32-15-19-8-9-29-13-19/h2-7,10-11,14,16,19,29H,8-9,13,15H2,1H3/t19-/m1/s1
InChIKeyAMLWTBKMJWLDBE-LJQANCHMSA-N
XLogP4.98
TPSA62.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647441) is 4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is Cc1ccc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCNC3)c3cncn23)c(F)c1.
What is the InChIKey of 4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is AMLWTBKMJWLDBE-LJQANCHMSA-N. The full InChI is InChI=1S/C26H23FN4O/c1-17-2-7-21(23(27)10-17)26-22(20-5-3-18(12-28)4-6-20)11-25(24-14-30-16-31(24)26)32-15-19-8-9-29-13-19/h2-7,10-11,14,16,19,29H,8-9,13,15H2,1H3/t19-/m1/s1.
What are the key properties of 4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 426.50 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).