1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone

C16H23N5O — CID 166104972

IUPAC1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc3ncc(C(C)C)nc3n2C)CC1
InChIInChI=1S/C16H23N5O/c1-10(2)13-9-17-14-16(18-13)20(4)15(19-14)12-5-7-21(8-6-12)11(3)22/h9-10,12H,5-8H2,1-4H3
InChIKeyQIWKWUBEMFEVPY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.21
Rot. Bonds2

About 1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone

1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone (PubChem CID 166104972) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone
PubChem CID166104972
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc3ncc(C(C)C)nc3n2C)CC1
InChIInChI=1S/C16H23N5O/c1-10(2)13-9-17-14-16(18-13)20(4)15(19-14)12-5-7-21(8-6-12)11(3)22/h9-10,12H,5-8H2,1-4H3
InChIKeyQIWKWUBEMFEVPY-UHFFFAOYSA-N
XLogP2.21
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone (CID 166104972) is 1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc3ncc(C(C)C)nc3n2C)CC1.
What is the InChIKey of 1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is QIWKWUBEMFEVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10(2)13-9-17-14-16(18-13)20(4)15(19-14)12-5-7-21(8-6-12)11(3)22/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone?
1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyrazin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 166104972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).