5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide

C16H22N4O3S — CID 139830889

IUPAC5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide
SMILESCNC(=O)c1cc2nc(S(C)(=O)=O)cnc2n1CC1CCCCC1
InChIInChI=1S/C16H22N4O3S/c1-17-16(21)13-8-12-15(18-9-14(19-12)24(2,22)23)20(13)10-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,21)
InChIKeyVIVOGGYOUITELK-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.77
Rot. Bonds4

About 5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide

5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide (PubChem CID 139830889) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide
PubChem CID139830889
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide
SMILESCNC(=O)c1cc2nc(S(C)(=O)=O)cnc2n1CC1CCCCC1
InChIInChI=1S/C16H22N4O3S/c1-17-16(21)13-8-12-15(18-9-14(19-12)24(2,22)23)20(13)10-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,21)
InChIKeyVIVOGGYOUITELK-UHFFFAOYSA-N
XLogP1.77
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide (CID 139830889) is 5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide is CNC(=O)c1cc2nc(S(C)(=O)=O)cnc2n1CC1CCCCC1.
What is the InChIKey of 5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide?
The InChIKey is VIVOGGYOUITELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-17-16(21)13-8-12-15(18-9-14(19-12)24(2,22)23)20(13)10-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,21).
What are the key properties of 5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide?
5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-N-methyl-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 139830889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).