[4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone

C24H26N4O4S — CID 70789288

IUPAC[4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone
SMILESCN1c2ccc(-c3ccc(C(=O)N4CCC(CCO)CC4)cc3)cc2-c2[nH]ncc2S1(=O)=O
InChIInChI=1S/C24H26N4O4S/c1-27-21-7-6-19(14-20(21)23-22(15-25-26-23)33(27,31)32)17-2-4-18(5-3-17)24(30)28-11-8-16(9-12-28)10-13-29/h2-7,14-16,29H,8-13H2,1H3,(H,25,26)
InChIKeyFADYFQASOSLUAS-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.12
Rot. Bonds4

About [4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone

[4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone (PubChem CID 70789288) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone
PubChem CID70789288
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name[4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone
SMILESCN1c2ccc(-c3ccc(C(=O)N4CCC(CCO)CC4)cc3)cc2-c2[nH]ncc2S1(=O)=O
InChIInChI=1S/C24H26N4O4S/c1-27-21-7-6-19(14-20(21)23-22(15-25-26-23)33(27,31)32)17-2-4-18(5-3-17)24(30)28-11-8-16(9-12-28)10-13-29/h2-7,14-16,29H,8-13H2,1H3,(H,25,26)
InChIKeyFADYFQASOSLUAS-UHFFFAOYSA-N
XLogP3.12
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
CID 71567008
4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
CID 71567007
5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one
CID 71539755

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone (CID 70789288) is [4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone is CN1c2ccc(-c3ccc(C(=O)N4CCC(CCO)CC4)cc3)cc2-c2[nH]ncc2S1(=O)=O.
What is the InChIKey of [4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone?
The InChIKey is FADYFQASOSLUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-27-21-7-6-19(14-20(21)23-22(15-25-26-23)33(27,31)32)17-2-4-18(5-3-17)24(30)28-11-8-16(9-12-28)10-13-29/h2-7,14-16,29H,8-13H2,1H3,(H,25,26).
What are the key properties of [4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone?
[4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone has a molecular weight of 466.56 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperidin-1-yl]-[4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)phenyl]methanone is sourced from PubChem (CID 70789288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).