2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile

C18H23N5O — CID 138714051

IUPAC2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile
SMILESC=Cc1c(NC)ncc2nc(CO)n(C3CCC(CC#N)CC3)c12
InChIInChI=1S/C18H23N5O/c1-3-14-17-15(10-21-18(14)20-2)22-16(11-24)23(17)13-6-4-12(5-7-13)8-9-19/h3,10,12-13,24H,1,4-8,11H2,2H3,(H,20,21)
InChIKeyJFAVERUEYPLLBT-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.25
Rot. Bonds5

About 2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile

2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile (PubChem CID 138714051) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile
PubChem CID138714051
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile
SMILESC=Cc1c(NC)ncc2nc(CO)n(C3CCC(CC#N)CC3)c12
InChIInChI=1S/C18H23N5O/c1-3-14-17-15(10-21-18(14)20-2)22-16(11-24)23(17)13-6-4-12(5-7-13)8-9-19/h3,10,12-13,24H,1,4-8,11H2,2H3,(H,20,21)
InChIKeyJFAVERUEYPLLBT-UHFFFAOYSA-N
XLogP3.25
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile?
The IUPAC name of 2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile (CID 138714051) is 2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile.
What is the SMILES notation for 2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile?
The canonical SMILES for 2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile is C=Cc1c(NC)ncc2nc(CO)n(C3CCC(CC#N)CC3)c12.
What is the InChIKey of 2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile?
The InChIKey is JFAVERUEYPLLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-14-17-15(10-21-18(14)20-2)22-16(11-24)23(17)13-6-4-12(5-7-13)8-9-19/h3,10,12-13,24H,1,4-8,11H2,2H3,(H,20,21).
What are the key properties of 2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile?
2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile has a molecular weight of 325.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-ethenyl-2-(hydroxymethyl)-6-(methylamino)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile is sourced from PubChem (CID 138714051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).