2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile

C17H20N6O — CID 86787000

IUPAC2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOCCn1nc(C)c(CNc2nc3ccccn3c2C#N)c1C
InChIInChI=1S/C17H20N6O/c1-12-14(13(2)23(21-12)8-9-24-3)11-19-17-15(10-18)22-7-5-4-6-16(22)20-17/h4-7,19H,8-9,11H2,1-3H3
InChIKeyOCSIBJJOBWAYEN-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.28
Rot. Bonds6

About 2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile

2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 86787000) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID86787000
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOCCn1nc(C)c(CNc2nc3ccccn3c2C#N)c1C
InChIInChI=1S/C17H20N6O/c1-12-14(13(2)23(21-12)8-9-24-3)11-19-17-15(10-18)22-7-5-4-6-16(22)20-17/h4-7,19H,8-9,11H2,1-3H3
InChIKeyOCSIBJJOBWAYEN-UHFFFAOYSA-N
XLogP2.28
TPSA80.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile (CID 86787000) is 2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile is COCCn1nc(C)c(CNc2nc3ccccn3c2C#N)c1C.
What is the InChIKey of 2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is OCSIBJJOBWAYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-14(13(2)23(21-12)8-9-24-3)11-19-17-15(10-18)22-7-5-4-6-16(22)20-17/h4-7,19H,8-9,11H2,1-3H3.
What are the key properties of 2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 324.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 86787000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).