3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile

C13H14N4O2 — CID 18509637

IUPAC3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESN#Cc1cnc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C13H14N4O2/c14-6-8-5-11-12(15-7-8)17(13(19)16-11)9-1-3-10(18)4-2-9/h5,7,9-10,18H,1-4H2,(H,16,19)
InChIKeyRKDALQRRIZQJTA-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.07
Rot. Bonds1

About 3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile

3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 18509637) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID18509637
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESN#Cc1cnc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C13H14N4O2/c14-6-8-5-11-12(15-7-8)17(13(19)16-11)9-1-3-10(18)4-2-9/h5,7,9-10,18H,1-4H2,(H,16,19)
InChIKeyRKDALQRRIZQJTA-UHFFFAOYSA-N
XLogP1.07
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 18509637) is 3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile is N#Cc1cnc2c(c1)[nH]c(=O)n2C1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is RKDALQRRIZQJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-6-8-5-11-12(15-7-8)17(13(19)16-11)9-1-3-10(18)4-2-9/h5,7,9-10,18H,1-4H2,(H,16,19).
What are the key properties of 3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 258.28 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 18509637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).