5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride

C26H30ClN3O3S — CID 68690371

IUPAC5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride
SMILESCCCCN1CCC(Oc2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1.Cl
InChIInChI=1S/C26H29N3O3S.ClH/c1-2-3-15-29-16-13-20(14-17-29)32-21-11-12-24-23(18-21)26(28-27-24)33(30,31)25-10-6-8-19-7-4-5-9-22(19)25;/h4-12,18,20H,2-3,13-17H2,1H3,(H,27,28);1H
InChIKeyXZCFJIWZMNYMKO-UHFFFAOYSA-N
MW500.06 g/mol
LogP5.61
Rot. Bonds7

About 5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride

5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride (PubChem CID 68690371) has the molecular formula C26H30ClN3O3S and a molecular weight of 500.06 g/mol. Its IUPAC name is 5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride.

Molecular Properties

Compound Name5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride
PubChem CID68690371
Molecular FormulaC26H30ClN3O3S
Molecular Weight500.06 g/mol
Exact Mass499.17
IUPAC Name5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride
SMILESCCCCN1CCC(Oc2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1.Cl
InChIInChI=1S/C26H29N3O3S.ClH/c1-2-3-15-29-16-13-20(14-17-29)32-21-11-12-24-23(18-21)26(28-27-24)33(30,31)25-10-6-8-19-7-4-5-9-22(19)25;/h4-12,18,20H,2-3,13-17H2,1H3,(H,27,28);1H
InChIKeyXZCFJIWZMNYMKO-UHFFFAOYSA-N
XLogP5.61
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.06
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-butylpyrrolidin-3-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole
CID 15981376
butanal;5-(1-butylpyrrolidin-3-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;methane;3-naphthalen-1-ylsulfonyl-5-pyrrolidin-3-yloxy-2H-indazole;hydrochloride
CID 158720066
3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride
CID 68681311
3-naphthalen-1-ylsulfonyl-5-(4-pyrrolidin-1-ylbutoxy)-2H-indazole
CID 68679898
6-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]hexan-3-amine
CID 69137588
4-(1-butylpiperidin-4-yl)oxy-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
CID 89374669
N,N-dimethyl-4-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]butan-1-amine
CID 68679888
3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole
CID 143426591
2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine
CID 58812067
4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine
CID 90743906
tert-butyl N-[(3S)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-yl]carbamate
CID 45378932
N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide
CID 53323436

Frequently Asked Questions

What is the IUPAC name of 5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride?
The IUPAC name of 5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride (CID 68690371) is 5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride.
What is the SMILES notation for 5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride?
The canonical SMILES for 5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride is CCCCN1CCC(Oc2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1.Cl.
What is the InChIKey of 5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride?
The InChIKey is XZCFJIWZMNYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S.ClH/c1-2-3-15-29-16-13-20(14-17-29)32-21-11-12-24-23(18-21)26(28-27-24)33(30,31)25-10-6-8-19-7-4-5-9-22(19)25;/h4-12,18,20H,2-3,13-17H2,1H3,(H,27,28);1H.
What are the key properties of 5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride?
5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride has a molecular weight of 500.06 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride is sourced from PubChem (CID 68690371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).