3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C21H25N3O2S — CID 10178016

IUPAC3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCC(C)c1ccc(S(=O)(=O)n2cc(C3CCCNC3)c3cccnc32)cc1
InChIInChI=1S/C21H25N3O2S/c1-15(2)16-7-9-18(10-8-16)27(25,26)24-14-20(17-5-3-11-22-13-17)19-6-4-12-23-21(19)24/h4,6-10,12,14-15,17,22H,3,5,11,13H2,1-2H3
InChIKeyBMAXSNMTQXFMSV-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.86
Rot. Bonds4

About 3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine

3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 10178016) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID10178016
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCC(C)c1ccc(S(=O)(=O)n2cc(C3CCCNC3)c3cccnc32)cc1
InChIInChI=1S/C21H25N3O2S/c1-15(2)16-7-9-18(10-8-16)27(25,26)24-14-20(17-5-3-11-22-13-17)19-6-4-12-23-21(19)24/h4,6-10,12,14-15,17,22H,3,5,11,13H2,1-2H3
InChIKeyBMAXSNMTQXFMSV-UHFFFAOYSA-N
XLogP3.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 10178016) is 3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine is CC(C)c1ccc(S(=O)(=O)n2cc(C3CCCNC3)c3cccnc32)cc1.
What is the InChIKey of 3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is BMAXSNMTQXFMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-15(2)16-7-9-18(10-8-16)27(25,26)24-14-20(17-5-3-11-22-13-17)19-6-4-12-23-21(19)24/h4,6-10,12,14-15,17,22H,3,5,11,13H2,1-2H3.
What are the key properties of 3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 383.52 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10178016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).