6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole

C17H19FN4O2S — CID 118060455

IUPAC6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole
SMILESCS(=O)(=O)N1CCCCC1n1cc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C17H19FN4O2S/c1-25(23,24)22-7-3-2-4-17(22)21-11-12(9-20-21)15-10-19-16-8-13(18)5-6-14(15)16/h5-6,8-11,17,19H,2-4,7H2,1H3
InChIKeyRRVQIJPJMQDATC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.11
Rot. Bonds3

About 6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole

6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole (PubChem CID 118060455) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole
PubChem CID118060455
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole
SMILESCS(=O)(=O)N1CCCCC1n1cc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C17H19FN4O2S/c1-25(23,24)22-7-3-2-4-17(22)21-11-12(9-20-21)15-10-19-16-8-13(18)5-6-14(15)16/h5-6,8-11,17,19H,2-4,7H2,1H3
InChIKeyRRVQIJPJMQDATC-UHFFFAOYSA-N
XLogP3.11
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole?
The IUPAC name of 6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole (CID 118060455) is 6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole is CS(=O)(=O)N1CCCCC1n1cc(-c2c[nH]c3cc(F)ccc23)cn1.
What is the InChIKey of 6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole?
The InChIKey is RRVQIJPJMQDATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-25(23,24)22-7-3-2-4-17(22)21-11-12(9-20-21)15-10-19-16-8-13(18)5-6-14(15)16/h5-6,8-11,17,19H,2-4,7H2,1H3.
What are the key properties of 6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole?
6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole has a molecular weight of 362.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole is sourced from PubChem (CID 118060455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).