1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone

C20H18N6O2 — CID 156869502

IUPAC1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone
SMILESCC(=O)c1c(N)n(-c2c(C)ccc(O)c2C)c2ncc(-c3cnccn3)nc12
InChIInChI=1S/C20H18N6O2/c1-10-4-5-15(28)11(2)18(10)26-19(21)16(12(3)27)17-20(26)24-9-14(25-17)13-8-22-6-7-23-13/h4-9,28H,21H2,1-3H3
InChIKeyIYGPENJKPSNCOV-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.98
Rot. Bonds3

About 1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone

1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone (PubChem CID 156869502) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone
PubChem CID156869502
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone
SMILESCC(=O)c1c(N)n(-c2c(C)ccc(O)c2C)c2ncc(-c3cnccn3)nc12
InChIInChI=1S/C20H18N6O2/c1-10-4-5-15(28)11(2)18(10)26-19(21)16(12(3)27)17-20(26)24-9-14(25-17)13-8-22-6-7-23-13/h4-9,28H,21H2,1-3H3
InChIKeyIYGPENJKPSNCOV-UHFFFAOYSA-N
XLogP2.98
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
6-amino-3-(2-cyclopropylethynyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869529
11-amino-10-(3-hydroxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
CID 169238429
5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide
CID 177163686
11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide
CID 178111080
7-acetyl-6-amino-5-(3-methoxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]pyrazin-2-one
CID 156869576
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 176792247
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166783590
[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)methanone
CID 175942135
2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784552
potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
CID 178110771
3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol
CID 172775086

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone (CID 156869502) is 1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone is CC(=O)c1c(N)n(-c2c(C)ccc(O)c2C)c2ncc(-c3cnccn3)nc12.
What is the InChIKey of 1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone?
The InChIKey is IYGPENJKPSNCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-10-4-5-15(28)11(2)18(10)26-19(21)16(12(3)27)17-20(26)24-9-14(25-17)13-8-22-6-7-23-13/h4-9,28H,21H2,1-3H3.
What are the key properties of 1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone?
1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone has a molecular weight of 374.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone is sourced from PubChem (CID 156869502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).