7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C27H23N5O3 — CID 29264833

IUPAC7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)nnc2c1-c1ccccc1
InChIInChI=1S/C27H23N5O3/c1-18-25(27(33)28-20-13-15-22(16-14-20)35-21-11-7-4-8-12-21)29-30-26-24(19-9-5-3-6-10-19)23(17-34-2)31-32(18)26/h3-16H,17H2,1-2H3,(H,28,33)
InChIKeyONTVIBFNEVGZQY-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.29
Rot. Bonds7

About 7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 29264833) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is 7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID29264833
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC Name7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)nnc2c1-c1ccccc1
InChIInChI=1S/C27H23N5O3/c1-18-25(27(33)28-20-13-15-22(16-14-20)35-21-11-7-4-8-12-21)29-30-26-24(19-9-5-3-6-10-19)23(17-34-2)31-32(18)26/h3-16H,17H2,1-2H3,(H,28,33)
InChIKeyONTVIBFNEVGZQY-UHFFFAOYSA-N
XLogP5.29
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864209
N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264794
8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864238
N-(4-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864208
8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864181
N-(3-chloro-4-fluorophenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315361
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864223
4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 6462995
8-(4-chlorophenyl)-7-(methoxymethyl)-4-methyl-N-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43832842
7-ethyl-N-(2-methoxyphenyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228388
2-methoxyethyl 7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840800

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 29264833) is 7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is COCc1nn2c(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)nnc2c1-c1ccccc1.
What is the InChIKey of 7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is ONTVIBFNEVGZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-18-25(27(33)28-20-13-15-22(16-14-20)35-21-11-7-4-8-12-21)29-30-26-24(19-9-5-3-6-10-19)23(17-34-2)31-32(18)26/h3-16H,17H2,1-2H3,(H,28,33).
What are the key properties of 7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 29264833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).