1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine

C14H19N3O2S — CID 165433195

IUPAC1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCn1c(C2CCN(S(C)(=O)=O)CC2)cc2cccnc21
InChIInChI=1S/C14H19N3O2S/c1-16-13(10-12-4-3-7-15-14(12)16)11-5-8-17(9-6-11)20(2,18)19/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyCUXIAJCFFKEPFL-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.71
Rot. Bonds2

About 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine

1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 165433195) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID165433195
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCn1c(C2CCN(S(C)(=O)=O)CC2)cc2cccnc21
InChIInChI=1S/C14H19N3O2S/c1-16-13(10-12-4-3-7-15-14(12)16)11-5-8-17(9-6-11)20(2,18)19/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyCUXIAJCFFKEPFL-UHFFFAOYSA-N
XLogP1.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine (CID 165433195) is 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine is Cn1c(C2CCN(S(C)(=O)=O)CC2)cc2cccnc21.
What is the InChIKey of 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is CUXIAJCFFKEPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-16-13(10-12-4-3-7-15-14(12)16)11-5-8-17(9-6-11)20(2,18)19/h3-4,7,10-11H,5-6,8-9H2,1-2H3.
What are the key properties of 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 293.39 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 165433195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).