7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine

C21H20N4O3S — CID 56591746

IUPAC7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ncccc1C1C=Nc2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc21
InChIInChI=1S/C21H20N4O3S/c1-13(2)29(26,27)15-8-6-14(7-9-15)18-12-24-20-19(25-18)17(11-23-20)16-5-4-10-22-21(16)28-3/h4-13,17H,1-3H3
InChIKeyAQHBISUQLIVUND-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.58
Rot. Bonds5

About 7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine

7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine (PubChem CID 56591746) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine
PubChem CID56591746
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ncccc1C1C=Nc2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc21
InChIInChI=1S/C21H20N4O3S/c1-13(2)29(26,27)15-8-6-14(7-9-15)18-12-24-20-19(25-18)17(11-23-20)16-5-4-10-22-21(16)28-3/h4-13,17H,1-3H3
InChIKeyAQHBISUQLIVUND-UHFFFAOYSA-N
XLogP3.58
TPSA94.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine (CID 56591746) is 7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine is COc1ncccc1C1C=Nc2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc21.
What is the InChIKey of 7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine?
The InChIKey is AQHBISUQLIVUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-13(2)29(26,27)15-8-6-14(7-9-15)18-12-24-20-19(25-18)17(11-23-20)16-5-4-10-22-21(16)28-3/h4-13,17H,1-3H3.
What are the key properties of 7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine?
7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine has a molecular weight of 408.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 56591746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).