N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C23H24N6O2S — CID 22513225

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESO=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24N6O2S/c30-22(25-18-8-10-27(11-9-18)14-17-5-2-1-3-6-17)15-28-23(31)20-13-19(21-7-4-12-32-21)26-29(20)16-24-28/h1-7,12-13,16,18H,8-11,14-15H2,(H,25,30)
InChIKeyOESFBTWZDKGHAK-UHFFFAOYSA-N
MW448.55 g/mol
LogP2.40
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 22513225) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID22513225
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESO=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24N6O2S/c30-22(25-18-8-10-27(11-9-18)14-17-5-2-1-3-6-17)15-28-23(31)20-13-19(21-7-4-12-32-21)26-29(20)16-24-28/h1-7,12-13,16,18H,8-11,14-15H2,(H,25,30)
InChIKeyOESFBTWZDKGHAK-UHFFFAOYSA-N
XLogP2.40
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513250
N-(3-morpholin-4-ylpropyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513214
N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 35558093
N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide
CID 53023077
5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
CID 20953467
N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36762015
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 16610753
N-cycloheptyl-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513133
N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378633
N-(1-benzylpiperidin-4-yl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53368776
N-(1-benzylpiperidin-4-yl)-2-methyl-8-thiophen-2-ylquinoline-4-carboxamide
CID 46383060
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 22513225) is N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is OESFBTWZDKGHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c30-22(25-18-8-10-27(11-9-18)14-17-5-2-1-3-6-17)15-28-23(31)20-13-19(21-7-4-12-32-21)26-29(20)16-24-28/h1-7,12-13,16,18H,8-11,14-15H2,(H,25,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 448.55 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 22513225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).