2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide

C20H18N6O3 — CID 22513128

IUPAC2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccnc4)ncn3n2)cc1
InChIInChI=1S/C20H18N6O3/c1-29-16-6-4-15(5-7-16)17-9-18-20(28)25(23-13-26(18)24-17)12-19(27)22-11-14-3-2-8-21-10-14/h2-10,13H,11-12H2,1H3,(H,22,27)
InChIKeyJOELCEFLICVXEI-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.28
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 22513128) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID22513128
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccnc4)ncn3n2)cc1
InChIInChI=1S/C20H18N6O3/c1-29-16-6-4-15(5-7-16)17-9-18-20(28)25(23-13-26(18)24-17)12-19(27)22-11-14-3-2-8-21-10-14/h2-10,13H,11-12H2,1H3,(H,22,27)
InChIKeyJOELCEFLICVXEI-UHFFFAOYSA-N
XLogP1.28
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 74
CID 44520963
Pyrimidine-4-carboxamide, 78
CID 44520965
Pyrazole scaffold, 16
CID 25218470
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
N-{3-[(4-methoxybenzoyl)amino]propyl}-2-pyridinecarboxamide
CID 2988566
N-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5308364
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazolo[1,5-a]pyridinecarboxamide
CID 9550757
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 22513128) is 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccnc4)ncn3n2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JOELCEFLICVXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-29-16-6-4-15(5-7-16)17-9-18-20(28)25(23-13-26(18)24-17)12-19(27)22-11-14-3-2-8-21-10-14/h2-10,13H,11-12H2,1H3,(H,22,27).
What are the key properties of 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 390.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 22513128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).