3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C21H20ClN5O2S — CID 122183108

IUPAC3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12
InChIInChI=1S/C21H20ClN5O2S/c22-18-3-1-2-4-19(18)30(28,29)20-12-25-21-17(20)9-14(10-24-21)15-11-26-27(13-15)16-5-7-23-8-6-16/h1-4,9-13,16,23H,5-8H2,(H,24,25)
InChIKeyRBILTCANHJYJDG-UHFFFAOYSA-N
MW441.94 g/mol
LogP3.84
Rot. Bonds4

About 3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 122183108) has the molecular formula C21H20ClN5O2S and a molecular weight of 441.94 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID122183108
Molecular FormulaC21H20ClN5O2S
Molecular Weight441.94 g/mol
Exact Mass441.10
IUPAC Name3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12
InChIInChI=1S/C21H20ClN5O2S/c22-18-3-1-2-4-19(18)30(28,29)20-12-25-21-17(20)9-14(10-24-21)15-11-26-27(13-15)16-5-7-23-8-6-16/h1-4,9-13,16,23H,5-8H2,(H,24,25)
InChIKeyRBILTCANHJYJDG-UHFFFAOYSA-N
XLogP3.84
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 122183108) is 3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RBILTCANHJYJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2S/c22-18-3-1-2-4-19(18)30(28,29)20-12-25-21-17(20)9-14(10-24-21)15-11-26-27(13-15)16-5-7-23-8-6-16/h1-4,9-13,16,23H,5-8H2,(H,24,25).
What are the key properties of 3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 441.94 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122183108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).