5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole

C21H25N3S — CID 59159035

IUPAC5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
SMILESCSc1ccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C21H25N3S/c1-25-20-7-4-16(5-8-20)14-24-10-2-3-18(15-24)11-17-6-9-21-19(12-17)13-22-23-21/h4-9,12-13,18H,2-3,10-11,14-15H2,1H3,(H,22,23)
InChIKeyXURBMOAVKHTIQR-UHFFFAOYSA-N
MW351.52 g/mol
LogP4.74
Rot. Bonds5

About 5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole

5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole (PubChem CID 59159035) has the molecular formula C21H25N3S and a molecular weight of 351.52 g/mol. Its IUPAC name is 5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
PubChem CID59159035
Molecular FormulaC21H25N3S
Molecular Weight351.52 g/mol
Exact Mass351.18
IUPAC Name5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
SMILESCSc1ccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C21H25N3S/c1-25-20-7-4-16(5-8-20)14-24-10-2-3-18(15-24)11-17-6-9-21-19(12-17)13-22-23-21/h4-9,12-13,18H,2-3,10-11,14-15H2,1H3,(H,22,23)
InChIKeyXURBMOAVKHTIQR-UHFFFAOYSA-N
XLogP4.74
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159015
[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine
CID 59159018
5-[[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159126
5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159138
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 158919158
5-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159006
N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 59159183
2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
CID 59159114
N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 59159232
5-[[(3R)-1-[[4-methyl-3-(propylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]methyl]-1H-indazole
CID 147498042
2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 59159110

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
The IUPAC name of 5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole (CID 59159035) is 5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole.
What is the SMILES notation for 5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
The canonical SMILES for 5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole is CSc1ccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of 5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
The InChIKey is XURBMOAVKHTIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3S/c1-25-20-7-4-16(5-8-20)14-24-10-2-3-18(15-24)11-17-6-9-21-19(12-17)13-22-23-21/h4-9,12-13,18H,2-3,10-11,14-15H2,1H3,(H,22,23).
What are the key properties of 5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole has a molecular weight of 351.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole is sourced from PubChem (CID 59159035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).