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

C17H19N5O3 — CID 156869535

IUPAC6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILES[2H]C([2H])([2H])c1nc2c([nH]c1=O)c(C(N)=O)c(N)n2-c1c(C)ccc(OC)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)/i3D3
InChIKeyHUDWDCUADAGJJM-HPRDVNIFSA-N
MW344.39 g/mol
LogP1.33
Rot. Bonds4

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

6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 156869535) has the molecular formula C17H19N5O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID156869535
Molecular FormulaC17H19N5O3
Molecular Weight344.39 g/mol
Exact Mass344.17
IUPAC Name6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILES[2H]C([2H])([2H])c1nc2c([nH]c1=O)c(C(N)=O)c(N)n2-c1c(C)ccc(OC)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)/i3D3
InChIKeyHUDWDCUADAGJJM-HPRDVNIFSA-N
XLogP1.33
TPSA129.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
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)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 156869535) is 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide is [2H]C([2H])([2H])c1nc2c([nH]c1=O)c(C(N)=O)c(N)n2-c1c(C)ccc(OC)c1C.
What is the InChIKey of 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HUDWDCUADAGJJM-HPRDVNIFSA-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)/i3D3.
What are the key properties of 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.33, 4 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)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 156869535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).