4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C17H12ClFN4O2S — CID 164572996

IUPAC4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2c(-c3cn[nH]c3F)cc3c(Cl)ccnc32)cc1
InChIInChI=1S/C17H12ClFN4O2S/c1-10-2-4-11(5-3-10)26(24,25)23-15(13-9-21-22-16(13)19)8-12-14(18)6-7-20-17(12)23/h2-9H,1H3,(H,21,22)
InChIKeySWKTYVYEJHWBKA-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.76
Rot. Bonds3

About 4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 164572996) has the molecular formula C17H12ClFN4O2S and a molecular weight of 390.83 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID164572996
Molecular FormulaC17H12ClFN4O2S
Molecular Weight390.83 g/mol
Exact Mass390.04
IUPAC Name4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2c(-c3cn[nH]c3F)cc3c(Cl)ccnc32)cc1
InChIInChI=1S/C17H12ClFN4O2S/c1-10-2-4-11(5-3-10)26(24,25)23-15(13-9-21-22-16(13)19)8-12-14(18)6-7-20-17(12)23/h2-9H,1H3,(H,21,22)
InChIKeySWKTYVYEJHWBKA-UHFFFAOYSA-N
XLogP3.76
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 141080529
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CID 90054318
4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90868510
tert-butyl 4-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-4-hydroxypiperidine-1-carboxylate
CID 90412684
5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridine
CID 177130203
5-fluoro-4-(4-methylphenyl)-1H-pyrazole
CID 137387558
11-(2,4-dimethylphenyl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 67360638
4-chloro-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 11638352
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine
CID 67147532
4-chloro-2-(4-formylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbonitrile
CID 90054272
4-[4-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]phenyl]morpholine
CID 118537751
4-chloro-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 164572996) is 4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2c(-c3cn[nH]c3F)cc3c(Cl)ccnc32)cc1.
What is the InChIKey of 4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is SWKTYVYEJHWBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O2S/c1-10-2-4-11(5-3-10)26(24,25)23-15(13-9-21-22-16(13)19)8-12-14(18)6-7-20-17(12)23/h2-9H,1H3,(H,21,22).
What are the key properties of 4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 390.83 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 164572996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).