1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole

C27H31N5O3S — CID 118674568

IUPAC1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole
SMILESO=S(=O)(c1ccccc1)N1CCC(Cn2ncc3cc(-c4cnn(C5CCCCO5)c4)ccc32)CC1
InChIInChI=1S/C27H31N5O3S/c33-36(34,25-6-2-1-3-7-25)30-13-11-21(12-14-30)19-31-26-10-9-22(16-23(26)17-28-31)24-18-29-32(20-24)27-8-4-5-15-35-27/h1-3,6-7,9-10,16-18,20-21,27H,4-5,8,11-15,19H2
InChIKeyFUUHVDCUZARMPC-UHFFFAOYSA-N
MW505.64 g/mol
LogP4.70
Rot. Bonds6

About 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole

1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole (PubChem CID 118674568) has the molecular formula C27H31N5O3S and a molecular weight of 505.64 g/mol. Its IUPAC name is 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole.

Molecular Properties

Compound Name1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole
PubChem CID118674568
Molecular FormulaC27H31N5O3S
Molecular Weight505.64 g/mol
Exact Mass505.21
IUPAC Name1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole
SMILESO=S(=O)(c1ccccc1)N1CCC(Cn2ncc3cc(-c4cnn(C5CCCCO5)c4)ccc32)CC1
InChIInChI=1S/C27H31N5O3S/c33-36(34,25-6-2-1-3-7-25)30-13-11-21(12-14-30)19-31-26-10-9-22(16-23(26)17-28-31)24-18-29-32(20-24)27-8-4-5-15-35-27/h1-3,6-7,9-10,16-18,20-21,27H,4-5,8,11-15,19H2
InChIKeyFUUHVDCUZARMPC-UHFFFAOYSA-N
XLogP4.70
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]benzimidazole
CID 118674361
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118676683
1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 118678071
1-[[1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 118678069
5-[1-(oxan-2-yl)pyrazol-4-yl]-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole
CID 118678040
[4-[1-[(1-benzylsulfonylpiperidin-4-yl)methyl]indazol-5-yl]pyrazol-1-yl]-iodophosphane
CID 129197453
5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole
CID 118674487
[2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone
CID 118353268
1-(benzenesulfonyl)-6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 170427028
1-[4-[[5-(1-iodophosphanylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-2-phenylethanone
CID 129197351
2-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 169094842
N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide
CID 118354891

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole?
The IUPAC name of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole (CID 118674568) is 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole.
What is the SMILES notation for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole?
The canonical SMILES for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole is O=S(=O)(c1ccccc1)N1CCC(Cn2ncc3cc(-c4cnn(C5CCCCO5)c4)ccc32)CC1.
What is the InChIKey of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole?
The InChIKey is FUUHVDCUZARMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3S/c33-36(34,25-6-2-1-3-7-25)30-13-11-21(12-14-30)19-31-26-10-9-22(16-23(26)17-28-31)24-18-29-32(20-24)27-8-4-5-15-35-27/h1-3,6-7,9-10,16-18,20-21,27H,4-5,8,11-15,19H2.
What are the key properties of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole?
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole has a molecular weight of 505.64 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole is sourced from PubChem (CID 118674568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).