[8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone

C22H27N5O4 — CID 43864253

IUPAC[8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
SMILESCOCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H27N5O4/c1-14-20(22(28)26-10-6-5-7-11-26)23-24-21-19(16(13-29-2)25-27(14)21)15-8-9-17(30-3)18(12-15)31-4/h8-9,12H,5-7,10-11,13H2,1-4H3
InChIKeyLYEPZIGELIMQBB-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.89
Rot. Bonds6

About [8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone

[8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 43864253) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is [8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
PubChem CID43864253
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name[8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
SMILESCOCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H27N5O4/c1-14-20(22(28)26-10-6-5-7-11-26)23-24-21-19(16(13-29-2)25-27(14)21)15-8-9-17(30-3)18(12-15)31-4/h8-9,12H,5-7,10-11,13H2,1-4H3
InChIKeyLYEPZIGELIMQBB-UHFFFAOYSA-N
XLogP2.89
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
CID 17121523
8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 90183224
1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
CID 17067599
methyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17147947
2-methoxyethyl 7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840800
ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840787
(4-benzylpiperazin-1-yl)-[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
CID 17035598
8-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228340
4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
CID 17229108
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
ethyl 7-(methoxymethyl)-8-phenyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 29264820
[8-(4-bromophenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 16652945

Frequently Asked Questions

What is the IUPAC name of [8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone (CID 43864253) is [8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone is COCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of [8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is LYEPZIGELIMQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-14-20(22(28)26-10-6-5-7-11-26)23-24-21-19(16(13-29-2)25-27(14)21)15-8-9-17(30-3)18(12-15)31-4/h8-9,12H,5-7,10-11,13H2,1-4H3.
What are the key properties of [8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone?
[8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 425.49 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 43864253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).