7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen

C23H25N3O3S — CID 161396343

IUPAC7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
SMILESCOCc1ccccc1-c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H]
InChIInChI=1S/C23H23N3O3S.H2/c1-15(2)30(27,28)18-10-8-16(9-11-18)21-13-25-23-22(26-21)20(12-24-23)19-7-5-4-6-17(19)14-29-3;/h4-13,15H,14H2,1-3H3,(H,24,25);1H
InChIKeyVTQNGEZDNBIVIC-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.87
Rot. Bonds6

About 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen

7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen (PubChem CID 161396343) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen.

Molecular Properties

Compound Name7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
PubChem CID161396343
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
SMILESCOCc1ccccc1-c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H]
InChIInChI=1S/C23H23N3O3S.H2/c1-15(2)30(27,28)18-10-8-16(9-11-18)21-13-25-23-22(26-21)20(12-24-23)19-7-5-4-6-17(19)14-29-3;/h4-13,15H,14H2,1-3H3,(H,24,25);1H
InChIKeyVTQNGEZDNBIVIC-UHFFFAOYSA-N
XLogP4.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen?
The IUPAC name of 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen (CID 161396343) is 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen.
What is the SMILES notation for 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen?
The canonical SMILES for 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen is COCc1ccccc1-c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].
What is the InChIKey of 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen?
The InChIKey is VTQNGEZDNBIVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S.H2/c1-15(2)30(27,28)18-10-8-16(9-11-18)21-13-25-23-22(26-21)20(12-24-23)19-7-5-4-6-17(19)14-29-3;/h4-13,15H,14H2,1-3H3,(H,24,25);1H.
What are the key properties of 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen?
7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen has a molecular weight of 423.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen is sourced from PubChem (CID 161396343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).