3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile

C15H15N3O — CID 58827222

IUPAC3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
SMILESCOc1cc(C#N)ccc1C1CCCc2cncn21
InChIInChI=1S/C15H15N3O/c1-19-15-7-11(8-16)5-6-13(15)14-4-2-3-12-9-17-10-18(12)14/h5-7,9-10,14H,2-4H2,1H3
InChIKeyIZBOZBITLCASGX-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.69
Rot. Bonds2

About 3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile

3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile (PubChem CID 58827222) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
PubChem CID58827222
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
SMILESCOc1cc(C#N)ccc1C1CCCc2cncn21
InChIInChI=1S/C15H15N3O/c1-19-15-7-11(8-16)5-6-13(15)14-4-2-3-12-9-17-10-18(12)14/h5-7,9-10,14H,2-4H2,1H3
InChIKeyIZBOZBITLCASGX-UHFFFAOYSA-N
XLogP2.69
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
The IUPAC name of 3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile (CID 58827222) is 3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
The canonical SMILES for 3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile is COc1cc(C#N)ccc1C1CCCc2cncn21.
What is the InChIKey of 3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
The InChIKey is IZBOZBITLCASGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-19-15-7-11(8-16)5-6-13(15)14-4-2-3-12-9-17-10-18(12)14/h5-7,9-10,14H,2-4H2,1H3.
What are the key properties of 3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 58827222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).