[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone

C21H24N6O — CID 110268069

IUPAC[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(C)c1nccn1-c1cccc(C2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C21H24N6O/c1-15(2)20-24-10-12-27(20)19-7-3-6-17(25-19)16-5-4-11-26(14-16)21(28)18-13-22-8-9-23-18/h3,6-10,12-13,15-16H,4-5,11,14H2,1-2H3
InChIKeyMHQYSWVEYXWKQB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.20
Rot. Bonds4

About [3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone

[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 110268069) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID110268069
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(C)c1nccn1-c1cccc(C2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C21H24N6O/c1-15(2)20-24-10-12-27(20)19-7-3-6-17(25-19)16-5-4-11-26(14-16)21(28)18-13-22-8-9-23-18/h3,6-10,12-13,15-16H,4-5,11,14H2,1-2H3
InChIKeyMHQYSWVEYXWKQB-UHFFFAOYSA-N
XLogP3.20
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95839096
(4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838776
(4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110268009
3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95838883
[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95824147
2-(1-cyclopentylpiperidin-3-yl)-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 110268048
2-(1-cyclohexylpiperidin-3-yl)-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 110268052
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809539
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563
[(3R)-3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819758
(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838773
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95838783

Frequently Asked Questions

What is the IUPAC name of [3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 110268069) is [3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone is CC(C)c1nccn1-c1cccc(C2CCCN(C(=O)c3cnccn3)C2)n1.
What is the InChIKey of [3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is MHQYSWVEYXWKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15(2)20-24-10-12-27(20)19-7-3-6-17(25-19)16-5-4-11-26(14-16)21(28)18-13-22-8-9-23-18/h3,6-10,12-13,15-16H,4-5,11,14H2,1-2H3.
What are the key properties of [3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 376.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110268069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).