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

C20H23FN4O2S — CID 24743728

IUPAC5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole
SMILESCc1nn(C)c(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21
InChIInChI=1S/C20H23FN4O2S/c1-13-20(14(2)24(4)22-13)28(26,27)25-12-18(15-7-9-23(3)10-8-15)17-11-16(21)5-6-19(17)25/h5-7,11-12H,8-10H2,1-4H3
InChIKeySRYPPMRMMITFEM-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.09
Rot. Bonds3

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

5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole (PubChem CID 24743728) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole.

Molecular Properties

Compound Name5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole
PubChem CID24743728
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC Name5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole
SMILESCc1nn(C)c(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21
InChIInChI=1S/C20H23FN4O2S/c1-13-20(14(2)24(4)22-13)28(26,27)25-12-18(15-7-9-23(3)10-8-15)17-11-16(21)5-6-19(17)25/h5-7,11-12H,8-10H2,1-4H3
InChIKeySRYPPMRMMITFEM-UHFFFAOYSA-N
XLogP3.09
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.09
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-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?
The IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole (CID 24743728) is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole.
What is the SMILES notation for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?
The canonical SMILES for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole is Cc1nn(C)c(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?
The InChIKey is SRYPPMRMMITFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-13-20(14(2)24(4)22-13)28(26,27)25-12-18(15-7-9-23(3)10-8-15)17-11-16(21)5-6-19(17)25/h5-7,11-12H,8-10H2,1-4H3.
What are the key properties of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole has a molecular weight of 402.50 g/mol, XLogP of 3.09, 3 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-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole is sourced from PubChem (CID 24743728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).