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

C29H27N5O5 — CID 43864238

IUPAC8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)nnc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C29H27N5O5/c1-18-27(29(35)30-20-11-13-22(14-12-20)39-21-8-6-5-7-9-21)31-32-28-26(23(17-36-2)33-34(18)28)19-10-15-24(37-3)25(16-19)38-4/h5-16H,17H2,1-4H3,(H,30,35)
InChIKeyCECXKRDTQKEDQC-UHFFFAOYSA-N
MW525.57 g/mol
LogP5.31
Rot. Bonds9

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

8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 43864238) has the molecular formula C29H27N5O5 and a molecular weight of 525.57 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID43864238
Molecular FormulaC29H27N5O5
Molecular Weight525.57 g/mol
Exact Mass525.20
IUPAC Name8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)nnc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C29H27N5O5/c1-18-27(29(35)30-20-11-13-22(14-12-20)39-21-8-6-5-7-9-21)31-32-28-26(23(17-36-2)33-34(18)28)19-10-15-24(37-3)25(16-19)38-4/h5-16H,17H2,1-4H3,(H,30,35)
InChIKeyCECXKRDTQKEDQC-UHFFFAOYSA-N
XLogP5.31
TPSA109.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864209
7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264833
N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264794
N-(4-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864208
8-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228340
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
8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864181
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864223
[8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
CID 43864253
8-(4-chlorophenyl)-7-(methoxymethyl)-4-methyl-N-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43832842
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 8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 43864238) is 8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is COCc1nn2c(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)nnc2c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is CECXKRDTQKEDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O5/c1-18-27(29(35)30-20-11-13-22(14-12-20)39-21-8-6-5-7-9-21)31-32-28-26(23(17-36-2)33-34(18)28)19-10-15-24(37-3)25(16-19)38-4/h5-16H,17H2,1-4H3,(H,30,35).
What are the key properties of 8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 525.57 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 43864238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).