N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C26H28N6O3 — CID 3236551

IUPACN-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NC4CCN(Cc5ccccc5)CC4)ncn3n2)cc1
InChIInChI=1S/C26H28N6O3/c1-35-22-9-7-20(8-10-22)23-15-24-26(34)31(27-18-32(24)29-23)17-25(33)28-21-11-13-30(14-12-21)16-19-5-3-2-4-6-19/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,28,33)
InChIKeyWETFFGUZGUZRAJ-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.35
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 3236551) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID3236551
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NC4CCN(Cc5ccccc5)CC4)ncn3n2)cc1
InChIInChI=1S/C26H28N6O3/c1-35-22-9-7-20(8-10-22)23-15-24-26(34)31(27-18-32(24)29-23)17-25(33)28-21-11-13-30(14-12-21)16-19-5-3-2-4-6-19/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,28,33)
InChIKeyWETFFGUZGUZRAJ-UHFFFAOYSA-N
XLogP2.35
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 3236551) is N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)NC4CCN(Cc5ccccc5)CC4)ncn3n2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is WETFFGUZGUZRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-35-22-9-7-20(8-10-22)23-15-24-26(34)31(27-18-32(24)29-23)17-25(33)28-21-11-13-30(14-12-21)16-19-5-3-2-4-6-19/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,28,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 472.55 g/mol, XLogP of 2.35, 7 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-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 3236551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).