1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone

C23H28N6O3 — CID 177381438

IUPAC1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2c(N)n(-c3c(C)ccc(O)c3C)c3nc(C)c(C)nc23)CC1
InChIInChI=1S/C23H28N6O3/c1-12-6-7-17(31)13(2)20(12)29-21(24)18(19-22(29)26-15(4)14(3)25-19)23(32)28-10-8-27(9-11-28)16(5)30/h6-7,31H,8-11,24H2,1-5H3
InChIKeyICSVTFIDPVJNMA-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.25
Rot. Bonds2

About 1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone (PubChem CID 177381438) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone
PubChem CID177381438
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2c(N)n(-c3c(C)ccc(O)c3C)c3nc(C)c(C)nc23)CC1
InChIInChI=1S/C23H28N6O3/c1-12-6-7-17(31)13(2)20(12)29-21(24)18(19-22(29)26-15(4)14(3)25-19)23(32)28-10-8-27(9-11-28)16(5)30/h6-7,31H,8-11,24H2,1-5H3
InChIKeyICSVTFIDPVJNMA-UHFFFAOYSA-N
XLogP2.25
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone (CID 177381438) is 1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2c(N)n(-c3c(C)ccc(O)c3C)c3nc(C)c(C)nc23)CC1.
What is the InChIKey of 1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is ICSVTFIDPVJNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-12-6-7-17(31)13(2)20(12)29-21(24)18(19-22(29)26-15(4)14(3)25-19)23(32)28-10-8-27(9-11-28)16(5)30/h6-7,31H,8-11,24H2,1-5H3.
What are the key properties of 1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 436.52 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 177381438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).