6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine

C19H20FN3O2S — CID 170426402

IUPAC6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(C3CCNCC3)c3ncc(F)cc32)cc1
InChIInChI=1S/C19H20FN3O2S/c1-13-2-4-16(5-3-13)26(24,25)23-12-17(14-6-8-21-9-7-14)19-18(23)10-15(20)11-22-19/h2-5,10-12,14,21H,6-9H2,1H3
InChIKeyGUCONTPWOXRKON-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.19
Rot. Bonds3

About 6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine

6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine (PubChem CID 170426402) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine
PubChem CID170426402
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(C3CCNCC3)c3ncc(F)cc32)cc1
InChIInChI=1S/C19H20FN3O2S/c1-13-2-4-16(5-3-13)26(24,25)23-12-17(14-6-8-21-9-7-14)19-18(23)10-15(20)11-22-19/h2-5,10-12,14,21H,6-9H2,1H3
InChIKeyGUCONTPWOXRKON-UHFFFAOYSA-N
XLogP3.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
CID 58017354
1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine
CID 44624098
[(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol
CID 23518915
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-4-ylphenyl)pyrrolo[2,3-b]pyridine
CID 90031547
5-[(2R)-2-[2-(3-aminobutyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 175047073
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine
CID 44624928
4-(2-methyl-5-methylsulfonylphenyl)piperidine
CID 117386717
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
5-bromo-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132573373
6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 144813630
1-(4-methylphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole;hydrochloride
CID 175183696
7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 146270808

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine (CID 170426402) is 6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine is Cc1ccc(S(=O)(=O)n2cc(C3CCNCC3)c3ncc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine?
The InChIKey is GUCONTPWOXRKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-13-2-4-16(5-3-13)26(24,25)23-12-17(14-6-8-21-9-7-14)19-18(23)10-15(20)11-22-19/h2-5,10-12,14,21H,6-9H2,1H3.
What are the key properties of 6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine?
6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine has a molecular weight of 373.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 170426402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).