6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C15H16N4O2S — CID 172602205

IUPAC6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILES[H]N=S(C)(=O)c1ccc(C)c(-c2cn(C)c(=O)c3[nH]ccc23)n1
InChIInChI=1S/C15H16N4O2S/c1-9-4-5-12(22(3,16)21)18-13(9)11-8-19(2)15(20)14-10(11)6-7-17-14/h4-8,16-17H,1-3H3
InChIKeyMFERRUUBTRIZCO-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.27
Rot. Bonds2

About 6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 172602205) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID172602205
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILES[H]N=S(C)(=O)c1ccc(C)c(-c2cn(C)c(=O)c3[nH]ccc23)n1
InChIInChI=1S/C15H16N4O2S/c1-9-4-5-12(22(3,16)21)18-13(9)11-8-19(2)15(20)14-10(11)6-7-17-14/h4-8,16-17H,1-3H3
InChIKeyMFERRUUBTRIZCO-UHFFFAOYSA-N
XLogP2.27
TPSA91.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 172602205) is 6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is [H]N=S(C)(=O)c1ccc(C)c(-c2cn(C)c(=O)c3[nH]ccc23)n1.
What is the InChIKey of 6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is MFERRUUBTRIZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-4-5-12(22(3,16)21)18-13(9)11-8-19(2)15(20)14-10(11)6-7-17-14/h4-8,16-17H,1-3H3.
What are the key properties of 6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 316.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172602205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).