6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H19N5O3 — CID 156869412

IUPAC6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3[nH]c(=O)c(C)nc32)c1C
InChIInChI=1S/C17H19N5O3/c1-7-5-6-10(25-4)8(2)13(7)22-14(18)11(15(19)23)12-16(22)20-9(3)17(24)21-12/h5-6H,18H2,1-4H3,(H2,19,23)(H,21,24)
InChIKeyHUDWDCUADAGJJM-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.33
Rot. Bonds3

About 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide

6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 156869412) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID156869412
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3[nH]c(=O)c(C)nc32)c1C
InChIInChI=1S/C17H19N5O3/c1-7-5-6-10(25-4)8(2)13(7)22-14(18)11(15(19)23)12-16(22)20-9(3)17(24)21-12/h5-6H,18H2,1-4H3,(H2,19,23)(H,21,24)
InChIKeyHUDWDCUADAGJJM-UHFFFAOYSA-N
XLogP1.33
TPSA129.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 156869412) is 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COc1ccc(C)c(-n2c(N)c(C(N)=O)c3[nH]c(=O)c(C)nc32)c1C.
What is the InChIKey of 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HUDWDCUADAGJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-7-5-6-10(25-4)8(2)13(7)22-14(18)11(15(19)23)12-16(22)20-9(3)17(24)21-12/h5-6H,18H2,1-4H3,(H2,19,23)(H,21,24).
What are the key properties of 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 156869412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).