1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole

C23H30N4O2S — CID 118683173

IUPAC1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole
SMILESO=S(=O)(C1CCCCC1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C23H30N4O2S/c28-30(29,22-4-2-1-3-5-22)27-12-8-18(9-13-27)17-26-11-10-20-14-19(6-7-23(20)26)21-15-24-25-16-21/h6-7,10-11,14-16,18,22H,1-5,8-9,12-13,17H2,(H,24,25)
InChIKeyFOGDIIMWRXJXAK-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.41
Rot. Bonds5

About 1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole

1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole (PubChem CID 118683173) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole
PubChem CID118683173
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole
SMILESO=S(=O)(C1CCCCC1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C23H30N4O2S/c28-30(29,22-4-2-1-3-5-22)27-12-8-18(9-13-27)17-26-11-10-20-14-19(6-7-23(20)26)21-15-24-25-16-21/h6-7,10-11,14-16,18,22H,1-5,8-9,12-13,17H2,(H,24,25)
InChIKeyFOGDIIMWRXJXAK-UHFFFAOYSA-N
XLogP4.41
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The IUPAC name of 1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole (CID 118683173) is 1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole is O=S(=O)(C1CCCCC1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of 1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The InChIKey is FOGDIIMWRXJXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c28-30(29,22-4-2-1-3-5-22)27-12-8-18(9-13-27)17-26-11-10-20-14-19(6-7-23(20)26)21-15-24-25-16-21/h6-7,10-11,14-16,18,22H,1-5,8-9,12-13,17H2,(H,24,25).
What are the key properties of 1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole has a molecular weight of 426.59 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 118683173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).