N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide

C22H28N4O2S — CID 59159152

IUPACN-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1)S(C)(=O)=O
InChIInChI=1S/C22H28N4O2S/c1-25(29(2,27)28)21-7-3-5-19(13-21)16-26-10-4-6-18(15-26)11-17-8-9-22-20(12-17)14-23-24-22/h3,5,7-9,12-14,18H,4,6,10-11,15-16H2,1-2H3,(H,23,24)
InChIKeyVFWRVGYJFVXOFU-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.41
Rot. Bonds6

About N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide

N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide (PubChem CID 59159152) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
PubChem CID59159152
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC NameN-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1)S(C)(=O)=O
InChIInChI=1S/C22H28N4O2S/c1-25(29(2,27)28)21-7-3-5-19(13-21)16-26-10-4-6-18(15-26)11-17-8-9-22-20(12-17)14-23-24-22/h3,5,7-9,12-14,18H,4,6,10-11,15-16H2,1-2H3,(H,23,24)
InChIKeyVFWRVGYJFVXOFU-UHFFFAOYSA-N
XLogP3.41
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-phenethylpiperazin-1-yl)-1H-indazole
CID 49798218
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]methanesulfonamide
CID 24936311
8-(4-Ethylphenyl)-5-Methyl-2,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71568837
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]methanesulfonamide
CID 73352322
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73355320
N-(1-benzylpiperidin-4-yl)-1H-indazol-5-amine
CID 9836178
N-(1-benzylpiperidin-3-yl)-1H-indazol-5-amine
CID 9857714
5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1H-indazole
CID 10688762
4-(1h-Indazol-5-yl)-6-(4-piperazin-1-ylphenyl)pyrimidin-2(1h)-one
CID 24759685
5-(2-benzylpiperazin-1-yl)-1H-indazole
CID 24782486
5-(2-phenylpiperazin-1-yl)-1H-indazole
CID 44188861
N-(1-(3-aminobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 44421922

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide (CID 59159152) is N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide is CN(c1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is VFWRVGYJFVXOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-25(29(2,27)28)21-7-3-5-19(13-21)16-26-10-4-6-18(15-26)11-17-8-9-22-20(12-17)14-23-24-22/h3,5,7-9,12-14,18H,4,6,10-11,15-16H2,1-2H3,(H,23,24).
What are the key properties of N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide?
N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 412.56 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 59159152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).