5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole

C24H23FN4O2S — CID 24743525

IUPAC5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole
SMILESCc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cnn1-c1ccccc1
InChIInChI=1S/C24H23FN4O2S/c1-17-24(15-26-29(17)20-6-4-3-5-7-20)32(30,31)28-16-22(18-10-12-27(2)13-11-18)21-14-19(25)8-9-23(21)28/h3-10,14-16H,11-13H2,1-2H3
InChIKeyLMVHFENXTULLSH-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.23
Rot. Bonds4

About 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole

5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole (PubChem CID 24743525) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole.

Molecular Properties

Compound Name5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole
PubChem CID24743525
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC Name5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole
SMILESCc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cnn1-c1ccccc1
InChIInChI=1S/C24H23FN4O2S/c1-17-24(15-26-29(17)20-6-4-3-5-7-20)32(30,31)28-16-22(18-10-12-27(2)13-11-18)21-14-19(25)8-9-23(21)28/h3-10,14-16H,11-13H2,1-2H3
InChIKeyLMVHFENXTULLSH-UHFFFAOYSA-N
XLogP4.23
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole?
The IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole (CID 24743525) is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole.
What is the SMILES notation for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole?
The canonical SMILES for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole is Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cnn1-c1ccccc1.
What is the InChIKey of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole?
The InChIKey is LMVHFENXTULLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-17-24(15-26-29(17)20-6-4-3-5-7-20)32(30,31)28-16-22(18-10-12-27(2)13-11-18)21-14-19(25)8-9-23(21)28/h3-10,14-16H,11-13H2,1-2H3.
What are the key properties of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole?
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole has a molecular weight of 450.54 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole is sourced from PubChem (CID 24743525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).