4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole

C17H24N4O2S — CID 121326522

IUPAC4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
SMILESCS(=O)(=O)N1CCC(c2cc(N3CCCC3)cc3[nH]ncc23)CC1
InChIInChI=1S/C17H24N4O2S/c1-24(22,23)21-8-4-13(5-9-21)15-10-14(20-6-2-3-7-20)11-17-16(15)12-18-19-17/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyWFGIISPSDJYHEI-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.30
Rot. Bonds3

About 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole

4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole (PubChem CID 121326522) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole.

Molecular Properties

Compound Name4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
PubChem CID121326522
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
SMILESCS(=O)(=O)N1CCC(c2cc(N3CCCC3)cc3[nH]ncc23)CC1
InChIInChI=1S/C17H24N4O2S/c1-24(22,23)21-8-4-13(5-9-21)15-10-14(20-6-2-3-7-20)11-17-16(15)12-18-19-17/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyWFGIISPSDJYHEI-UHFFFAOYSA-N
XLogP2.30
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
The IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole (CID 121326522) is 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole.
What is the SMILES notation for 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
The canonical SMILES for 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole is CS(=O)(=O)N1CCC(c2cc(N3CCCC3)cc3[nH]ncc23)CC1.
What is the InChIKey of 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
The InChIKey is WFGIISPSDJYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-24(22,23)21-8-4-13(5-9-21)15-10-14(20-6-2-3-7-20)11-17-16(15)12-18-19-17/h10-13H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole has a molecular weight of 348.47 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole is sourced from PubChem (CID 121326522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).