2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide

C24H25N5O3 — CID 20953720

IUPAC2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCCc4ccccc4)nc(C)n3n2)cc1
InChIInChI=1S/C24H25N5O3/c1-17-26-28(16-23(30)25-14-6-9-18-7-4-3-5-8-18)24(31)22-15-21(27-29(17)22)19-10-12-20(32-2)13-11-19/h3-5,7-8,10-13,15H,6,9,14,16H2,1-2H3,(H,25,30)
InChIKeyFAJIONKZTVNAMT-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.62
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide

2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 20953720) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
PubChem CID20953720
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCCc4ccccc4)nc(C)n3n2)cc1
InChIInChI=1S/C24H25N5O3/c1-17-26-28(16-23(30)25-14-6-9-18-7-4-3-5-8-18)24(31)22-15-21(27-29(17)22)19-10-12-20(32-2)13-11-19/h3-5,7-8,10-13,15H,6,9,14,16H2,1-2H3,(H,25,30)
InChIKeyFAJIONKZTVNAMT-UHFFFAOYSA-N
XLogP2.62
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide (CID 20953720) is 2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)NCCCc4ccccc4)nc(C)n3n2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is FAJIONKZTVNAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17-26-28(16-23(30)25-14-6-9-18-7-4-3-5-8-18)24(31)22-15-21(27-29(17)22)19-10-12-20(32-2)13-11-19/h3-5,7-8,10-13,15H,6,9,14,16H2,1-2H3,(H,25,30).
What are the key properties of 2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide?
2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 431.50 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 20953720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).