4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one

C23H27N5O2 — CID 59540972

IUPAC4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one
SMILESCC1CN(C)C(=O)CN1c1cccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c1
InChIInChI=1S/C23H27N5O2/c1-14-12-27(5)19(29)13-28(14)16-8-6-7-15(9-16)18-11-25-22-20(26-18)17(10-24-22)21(30)23(2,3)4/h6-11,14H,12-13H2,1-5H3,(H,24,25)
InChIKeyYQXKMAALVDTLEK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.52
Rot. Bonds3

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

4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one (PubChem CID 59540972) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one
PubChem CID59540972
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one
SMILESCC1CN(C)C(=O)CN1c1cccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c1
InChIInChI=1S/C23H27N5O2/c1-14-12-27(5)19(29)13-28(14)16-8-6-7-15(9-16)18-11-25-22-20(26-18)17(10-24-22)21(30)23(2,3)4/h6-11,14H,12-13H2,1-5H3,(H,24,25)
InChIKeyYQXKMAALVDTLEK-UHFFFAOYSA-N
XLogP3.52
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540881
1-[2-[3-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540650
1-[2-[3-(3-methoxypyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59541040
1-[2-(3-hydroxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540675
2,2-dimethyl-1-[2-[3-[(1S,5R)-1-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 59540714
2,2-dimethyl-1-[2-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 143853823
2,2-dimethyl-1-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 59540774
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
2,2-dimethyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 158117176
1-[2-[3-(2,2-dioxo-2λ6-thia-7-azaspiro[4.4]nonan-7-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540745
carbamoyl 1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-3-methylpyrrolidine-3-carboxylate
CID 90732484
N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide
CID 59540529

Frequently Asked Questions

What is the IUPAC name of 4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one?
The IUPAC name of 4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one (CID 59540972) is 4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one?
The canonical SMILES for 4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one is CC1CN(C)C(=O)CN1c1cccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c1.
What is the InChIKey of 4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one?
The InChIKey is YQXKMAALVDTLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14-12-27(5)19(29)13-28(14)16-8-6-7-15(9-16)18-11-25-22-20(26-18)17(10-24-22)21(30)23(2,3)4/h6-11,14H,12-13H2,1-5H3,(H,24,25).
What are the key properties of 4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one?
4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one has a molecular weight of 405.50 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-1,5-dimethylpiperazin-2-one is sourced from PubChem (CID 59540972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).