4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one

C15H19N5O — CID 124943315

IUPAC4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one
SMILESO=C(CCCn1ccnc1)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C15H19N5O/c21-15(4-2-8-19-10-7-17-12-19)20-9-1-3-14(20)13-11-16-5-6-18-13/h5-7,10-12,14H,1-4,8-9H2/t14-/m0/s1
InChIKeyBBPWOZFIPRGXQC-AWEZNQCLSA-N
MW285.35 g/mol
LogP1.82
Rot. Bonds5

About 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one

4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one (PubChem CID 124943315) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one
PubChem CID124943315
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one
SMILESO=C(CCCn1ccnc1)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C15H19N5O/c21-15(4-2-8-19-10-7-17-12-19)20-9-1-3-14(20)13-11-16-5-6-18-13/h5-7,10-12,14H,1-4,8-9H2/t14-/m0/s1
InChIKeyBBPWOZFIPRGXQC-AWEZNQCLSA-N
XLogP1.82
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 124978443
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124944928
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one
CID 124960482
1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95309733
4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one
CID 124998191
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 110129249
1-[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-imidazol-1-ylbutan-1-one
CID 124744308
3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 59940898
3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125002954

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one (CID 124943315) is 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one is O=C(CCCn1ccnc1)N1CCC[C@H]1c1cnccn1.
What is the InChIKey of 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one?
The InChIKey is BBPWOZFIPRGXQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(4-2-8-19-10-7-17-12-19)20-9-1-3-14(20)13-11-16-5-6-18-13/h5-7,10-12,14H,1-4,8-9H2/t14-/m0/s1.
What are the key properties of 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one?
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one has a molecular weight of 285.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 124943315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).