3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile

C22H29N5O — CID 56886404

IUPAC3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile
SMILESCC(C)(CN1CCOCC1)CN1CCc2[nH]cnc2C1c1cccc(C#N)c1
InChIInChI=1S/C22H29N5O/c1-22(2,14-26-8-10-28-11-9-26)15-27-7-6-19-20(25-16-24-19)21(27)18-5-3-4-17(12-18)13-23/h3-5,12,16,21H,6-11,14-15H2,1-2H3,(H,24,25)
InChIKeyUNIPZZSILGFMBX-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.59
Rot. Bonds5

About 3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile

3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile (PubChem CID 56886404) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile
PubChem CID56886404
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile
SMILESCC(C)(CN1CCOCC1)CN1CCc2[nH]cnc2C1c1cccc(C#N)c1
InChIInChI=1S/C22H29N5O/c1-22(2,14-26-8-10-28-11-9-26)15-27-7-6-19-20(25-16-24-19)21(27)18-5-3-4-17(12-18)13-23/h3-5,12,16,21H,6-11,14-15H2,1-2H3,(H,24,25)
InChIKeyUNIPZZSILGFMBX-UHFFFAOYSA-N
XLogP2.59
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile (CID 56886404) is 3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile is CC(C)(CN1CCOCC1)CN1CCc2[nH]cnc2C1c1cccc(C#N)c1.
What is the InChIKey of 3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile?
The InChIKey is UNIPZZSILGFMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-22(2,14-26-8-10-28-11-9-26)15-27-7-6-19-20(25-16-24-19)21(27)18-5-3-4-17(12-18)13-23/h3-5,12,16,21H,6-11,14-15H2,1-2H3,(H,24,25).
What are the key properties of 3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile?
3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile has a molecular weight of 379.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 56886404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).