3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine

C16H19N5O2S — CID 164640532

IUPAC3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1nccc1S(=O)(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1
InChIInChI=1S/C16H19N5O2S/c1-20-15(6-8-19-20)24(22,23)21-9-3-4-12(11-21)14-10-18-16-13(14)5-2-7-17-16/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyBXWDOGZAIALRLY-LBPRGKRZSA-N
MW345.43 g/mol
LogP1.86
Rot. Bonds3

About 3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine

3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 164640532) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID164640532
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1nccc1S(=O)(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1
InChIInChI=1S/C16H19N5O2S/c1-20-15(6-8-19-20)24(22,23)21-9-3-4-12(11-21)14-10-18-16-13(14)5-2-7-17-16/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyBXWDOGZAIALRLY-LBPRGKRZSA-N
XLogP1.86
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 164640532) is 3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is Cn1nccc1S(=O)(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1.
What is the InChIKey of 3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BXWDOGZAIALRLY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-20-15(6-8-19-20)24(22,23)21-9-3-4-12(11-21)14-10-18-16-13(14)5-2-7-17-16/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 345.43 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 164640532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).