6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole

C23H27N3O3S — CID 153301778

IUPAC6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole
SMILESCc1cc2cn[nH]c2cc1C1CCN(C2(CS(=O)(=O)c3ccccc3)COC2)CC1
InChIInChI=1S/C23H27N3O3S/c1-17-11-19-13-24-25-22(19)12-21(17)18-7-9-26(10-8-18)23(14-29-15-23)16-30(27,28)20-5-3-2-4-6-20/h2-6,11-13,18H,7-10,14-16H2,1H3,(H,24,25)
InChIKeyOQSMKAJWGZHOPZ-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.29
Rot. Bonds5

About 6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole

6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole (PubChem CID 153301778) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole.

Molecular Properties

Compound Name6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole
PubChem CID153301778
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole
SMILESCc1cc2cn[nH]c2cc1C1CCN(C2(CS(=O)(=O)c3ccccc3)COC2)CC1
InChIInChI=1S/C23H27N3O3S/c1-17-11-19-13-24-25-22(19)12-21(17)18-7-9-26(10-8-18)23(14-29-15-23)16-30(27,28)20-5-3-2-4-6-20/h2-6,11-13,18H,7-10,14-16H2,1H3,(H,24,25)
InChIKeyOQSMKAJWGZHOPZ-UHFFFAOYSA-N
XLogP3.29
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(benzenesulfonylmethyl)oxetan-3-yl]-2-methylphenol
CID 71238997
6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole
CID 135262520
5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole
CID 71179499
N-(6-cyclopropyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568086
(4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 154846097
5-methyl-1H-indazol-6-ol
CID 135742461
5-[4-[(3S)-1-methylpyrrolidin-3-yl]phenyl]sulfonyl-1H-indazole;hydrochloride
CID 66877435
tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate
CID 135274231
5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole
CID 171698004
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine
CID 154778650
1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42165171

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole?
The IUPAC name of 6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole (CID 153301778) is 6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole.
What is the SMILES notation for 6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole?
The canonical SMILES for 6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole is Cc1cc2cn[nH]c2cc1C1CCN(C2(CS(=O)(=O)c3ccccc3)COC2)CC1.
What is the InChIKey of 6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole?
The InChIKey is OQSMKAJWGZHOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-17-11-19-13-24-25-22(19)12-21(17)18-7-9-26(10-8-18)23(14-29-15-23)16-30(27,28)20-5-3-2-4-6-20/h2-6,11-13,18H,7-10,14-16H2,1H3,(H,24,25).
What are the key properties of 6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole?
6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole has a molecular weight of 425.55 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(benzenesulfonylmethyl)oxetan-3-yl]piperidin-4-yl]-5-methyl-1H-indazole is sourced from PubChem (CID 153301778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).