3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile

C17H14N8 — CID 22380177

IUPAC3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCn1c(Cn2ccnc2-c2ncccn2)nc2ccnc(C#N)c21
InChIInChI=1S/C17H14N8/c1-2-25-14(23-12-4-7-19-13(10-18)15(12)25)11-24-9-8-22-17(24)16-20-5-3-6-21-16/h3-9H,2,11H2,1H3
InChIKeyNIXAQSPPRDDCJU-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.02
Rot. Bonds4

About 3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile

3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 22380177) has the molecular formula C17H14N8 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID22380177
Molecular FormulaC17H14N8
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCn1c(Cn2ccnc2-c2ncccn2)nc2ccnc(C#N)c21
InChIInChI=1S/C17H14N8/c1-2-25-14(23-12-4-7-19-13(10-18)15(12)25)11-24-9-8-22-17(24)16-20-5-3-6-21-16/h3-9H,2,11H2,1H3
InChIKeyNIXAQSPPRDDCJU-UHFFFAOYSA-N
XLogP2.02
TPSA98.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 22380177) is 3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile is CCn1c(Cn2ccnc2-c2ncccn2)nc2ccnc(C#N)c21.
What is the InChIKey of 3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is NIXAQSPPRDDCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8/c1-2-25-14(23-12-4-7-19-13(10-18)15(12)25)11-24-9-8-22-17(24)16-20-5-3-6-21-16/h3-9H,2,11H2,1H3.
What are the key properties of 3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile?
3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 330.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 22380177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).