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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Related Compounds

4-{2-[(Cyclopropylmethyl)amino]-5-(Ethylsulfonyl)phenyl}-6-Methyl-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
CID 89656215
4-[2-(cyclopropylmethylamino)-5-methylsulfonylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89656146
4-(cyclopropylmethylamino)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzenesulfonamide
CID 89657377
N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 134130638
4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 164613400
4-[5-ethylsulfonyl-2-(4-methylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89655884
4-[2-(cyclopropylamino)-5-ethylsulfonylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89655983
4-[2-(4-fluoroanilino)-5-methylsulfonylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89656149
4-[2-(cyclohexylamino)-5-methylsulfonylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89656373
4-[5-(ethylsulfonyl)-2-(pyrrolidin-1-yl)phenyl]-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 89656439
4-[2-(cyclopropylmethylamino)-5-propan-2-ylsulfonylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89656472
4-(cyclopropylmethylamino)-N-methyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzenesulfonamide
CID 89657383

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).