1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

C20H21N5O — CID 59540904

IUPAC1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(C4=NCCN4)c3)nc12
InChIInChI=1S/C20H21N5O/c1-20(2,3)17(26)14-10-23-19-16(14)25-15(11-24-19)12-5-4-6-13(9-12)18-21-7-8-22-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyLFEANBCNBIENKL-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.20
Rot. Bonds3

About 1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (PubChem CID 59540904) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
PubChem CID59540904
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(C4=NCCN4)c3)nc12
InChIInChI=1S/C20H21N5O/c1-20(2,3)17(26)14-10-23-19-16(14)25-15(11-24-19)12-5-4-6-13(9-12)18-21-7-8-22-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyLFEANBCNBIENKL-UHFFFAOYSA-N
XLogP3.20
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (CID 59540904) is 1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(C4=NCCN4)c3)nc12.
What is the InChIKey of 1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The InChIKey is LFEANBCNBIENKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-20(2,3)17(26)14-10-23-19-16(14)25-15(11-24-19)12-5-4-6-13(9-12)18-21-7-8-22-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one has a molecular weight of 347.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59540904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).