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

C24H26N4O3S — CID 118678083

IUPAC1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cn3ccc4cc(-c5cn[nH]c5)ccc43)CC2)cc1
InChIInChI=1S/C24H26N4O3S/c1-31-22-3-5-23(6-4-22)32(29,30)28-12-8-18(9-13-28)17-27-11-10-20-14-19(2-7-24(20)27)21-15-25-26-16-21/h2-7,10-11,14-16,18H,8-9,12-13,17H2,1H3,(H,25,26)
InChIKeyFYFVLGPXVPCCBH-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.14
Rot. Bonds6

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

1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole (PubChem CID 118678083) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole
PubChem CID118678083
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cn3ccc4cc(-c5cn[nH]c5)ccc43)CC2)cc1
InChIInChI=1S/C24H26N4O3S/c1-31-22-3-5-23(6-4-22)32(29,30)28-12-8-18(9-13-28)17-27-11-10-20-14-19(2-7-24(20)27)21-15-25-26-16-21/h2-7,10-11,14-16,18H,8-9,12-13,17H2,1H3,(H,25,26)
InChIKeyFYFVLGPXVPCCBH-UHFFFAOYSA-N
XLogP4.14
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole
CID 118683181
1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole
CID 118683173
1-[[(3S,5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678032
1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole
CID 118682973
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole
CID 159364559
5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole
CID 118674487
1-[[5,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118683163
3-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 118678062
1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118683133
4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 71781099
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
3-methylbenzenethiol;1-[(5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole
CID 145005362

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The IUPAC name of 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole (CID 118678083) is 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole is COc1ccc(S(=O)(=O)N2CCC(Cn3ccc4cc(-c5cn[nH]c5)ccc43)CC2)cc1.
What is the InChIKey of 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The InChIKey is FYFVLGPXVPCCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-31-22-3-5-23(6-4-22)32(29,30)28-12-8-18(9-13-28)17-27-11-10-20-14-19(2-7-24(20)27)21-15-25-26-16-21/h2-7,10-11,14-16,18H,8-9,12-13,17H2,1H3,(H,25,26).
What are the key properties of 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole has a molecular weight of 450.56 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 118678083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).