6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole

C19H28N4O2S — CID 75001014

IUPAC6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole
SMILESCC1CCN(CCC2CCCN2S(=O)(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C19H28N4O2S/c1-15-6-10-22(11-7-15)12-8-17-3-2-9-23(17)26(24,25)18-5-4-16-14-20-21-19(16)13-18/h4-5,13-15,17H,2-3,6-12H2,1H3,(H,20,21)
InChIKeyJRGQURVZDDDHRO-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.84
Rot. Bonds5

About 6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole

6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole (PubChem CID 75001014) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole.

Molecular Properties

Compound Name6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole
PubChem CID75001014
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole
SMILESCC1CCN(CCC2CCCN2S(=O)(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C19H28N4O2S/c1-15-6-10-22(11-7-15)12-8-17-3-2-9-23(17)26(24,25)18-5-4-16-14-20-21-19(16)13-18/h4-5,13-15,17H,2-3,6-12H2,1H3,(H,20,21)
InChIKeyJRGQURVZDDDHRO-UHFFFAOYSA-N
XLogP2.84
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole?
The IUPAC name of 6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole (CID 75001014) is 6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole.
What is the SMILES notation for 6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole?
The canonical SMILES for 6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole is CC1CCN(CCC2CCCN2S(=O)(=O)c2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of 6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole?
The InChIKey is JRGQURVZDDDHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-15-6-10-22(11-7-15)12-8-17-3-2-9-23(17)26(24,25)18-5-4-16-14-20-21-19(16)13-18/h4-5,13-15,17H,2-3,6-12H2,1H3,(H,20,21).
What are the key properties of 6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole?
6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole has a molecular weight of 376.53 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole is sourced from PubChem (CID 75001014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).