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2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile

C26H33N5O — CID 123181413

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
SMILESCCn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCCC(CC(C)C)C3)cc(C)nc21
InChIInChI=1S/C26H33N5O/c1-5-30-25-24(31(26(30)32)17-22-11-7-6-10-21(22)15-27)23(14-19(4)28-25)29-12-8-9-20(16-29)13-18(2)3/h6-7,10-11,14,18,20H,5,8-9,12-13,16-17H2,1-4H3
InChIKeyVOKQBYYGKPZGQU-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.71
Rot. Bonds6

About 2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile

2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile (PubChem CID 123181413) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
PubChem CID123181413
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
SMILESCCn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCCC(CC(C)C)C3)cc(C)nc21
InChIInChI=1S/C26H33N5O/c1-5-30-25-24(31(26(30)32)17-22-11-7-6-10-21(22)15-27)23(14-19(4)28-25)29-12-8-9-20(16-29)13-18(2)3/h6-7,10-11,14,18,20H,5,8-9,12-13,16-17H2,1-4H3
InChIKeyVOKQBYYGKPZGQU-UHFFFAOYSA-N
XLogP4.71
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile (CID 123181413) is 2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile is CCn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCCC(CC(C)C)C3)cc(C)nc21.
What is the InChIKey of 2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The InChIKey is VOKQBYYGKPZGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-5-30-25-24(31(26(30)32)17-22-11-7-6-10-21(22)15-27)23(14-19(4)28-25)29-12-8-9-20(16-29)13-18(2)3/h6-7,10-11,14,18,20H,5,8-9,12-13,16-17H2,1-4H3.
What are the key properties of 2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile has a molecular weight of 431.58 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethyl-5-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 123181413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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