5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C27H19FN4O2S — CID 70225829

IUPAC5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc4[nH]ccc4c3)c3cc(-c4ccc(F)nc4)cnc32)cc1
InChIInChI=1S/C27H19FN4O2S/c1-17-2-6-22(7-3-17)35(33,34)32-16-24(18-4-8-25-19(12-18)10-11-29-25)23-13-21(15-31-27(23)32)20-5-9-26(28)30-14-20/h2-16,29H,1H3
InChIKeySNRVHAOLSLRMOI-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.93
Rot. Bonds4

About 5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 70225829) has the molecular formula C27H19FN4O2S and a molecular weight of 482.54 g/mol. Its IUPAC name is 5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID70225829
Molecular FormulaC27H19FN4O2S
Molecular Weight482.54 g/mol
Exact Mass482.12
IUPAC Name5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc4[nH]ccc4c3)c3cc(-c4ccc(F)nc4)cnc32)cc1
InChIInChI=1S/C27H19FN4O2S/c1-17-2-6-22(7-3-17)35(33,34)32-16-24(18-4-8-25-19(12-18)10-11-29-25)23-13-21(15-31-27(23)32)20-5-9-26(28)30-14-20/h2-16,29H,1H3
InChIKeySNRVHAOLSLRMOI-UHFFFAOYSA-N
XLogP5.93
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 70225829) is 5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2cc(-c3ccc4[nH]ccc4c3)c3cc(-c4ccc(F)nc4)cnc32)cc1.
What is the InChIKey of 5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is SNRVHAOLSLRMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4O2S/c1-17-2-6-22(7-3-17)35(33,34)32-16-24(18-4-8-25-19(12-18)10-11-29-25)23-13-21(15-31-27(23)32)20-5-9-26(28)30-14-20/h2-16,29H,1H3.
What are the key properties of 5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 482.54 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3-pyridinyl)-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70225829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).