1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

C15H19N5O — CID 125024619

IUPAC1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Cc2cncc(-c3cncn3C)n2)C1
InChIInChI=1S/C15H19N5O/c1-11(21)20-4-3-12(9-20)5-13-6-16-7-14(18-13)15-8-17-10-19(15)2/h6-8,10,12H,3-5,9H2,1-2H3/t12-/m0/s1
InChIKeyZGXUZUOVMRDPMH-LBPRGKRZSA-N
MW285.35 g/mol
LogP1.29
Rot. Bonds3

About 1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 125024619) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID125024619
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Cc2cncc(-c3cncn3C)n2)C1
InChIInChI=1S/C15H19N5O/c1-11(21)20-4-3-12(9-20)5-13-6-16-7-14(18-13)15-8-17-10-19(15)2/h6-8,10,12H,3-5,9H2,1-2H3/t12-/m0/s1
InChIKeyZGXUZUOVMRDPMH-LBPRGKRZSA-N
XLogP1.29
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949029
1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102457
1-[4-[[6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110102290
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
1-[3-[(6-pyridin-3-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257442
1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
1-[(3R)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124970434
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124995802
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
1-[4-[4-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110110604
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone
CID 124993993
1-[(4S)-4-[(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)methyl]azepan-1-yl]ethanone
CID 125021534

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 125024619) is 1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](Cc2cncc(-c3cncn3C)n2)C1.
What is the InChIKey of 1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZGXUZUOVMRDPMH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(21)20-4-3-12(9-20)5-13-6-16-7-14(18-13)15-8-17-10-19(15)2/h6-8,10,12H,3-5,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125024619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).