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

C27H21FN4O2S — CID 70648822

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc4c(c3)CCN4)c3cc(-c4ccc(F)nc4)cnc32)cc1
InChIInChI=1S/C27H21FN4O2S/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/h2-9,12-16,29H,10-11H2,1H3
InChIKeyBOKSPEWILLQKEB-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.42
Rot. Bonds4

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

3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 70648822) has the molecular formula C27H21FN4O2S and a molecular weight of 484.56 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID70648822
Molecular FormulaC27H21FN4O2S
Molecular Weight484.56 g/mol
Exact Mass484.14
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc4c(c3)CCN4)c3cc(-c4ccc(F)nc4)cnc32)cc1
InChIInChI=1S/C27H21FN4O2S/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/h2-9,12-16,29H,10-11H2,1H3
InChIKeyBOKSPEWILLQKEB-UHFFFAOYSA-N
XLogP5.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 70648822) is 3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2cc(-c3ccc4c(c3)CCN4)c3cc(-c4ccc(F)nc4)cnc32)cc1.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is BOKSPEWILLQKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O2S/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/h2-9,12-16,29H,10-11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 484.56 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70648822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).