8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C22H24N6O2 — CID 139468419

IUPAC8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCCc4ccncc4)nc(C)nc23)cc1OC
InChIInChI=1S/C22H24N6O2/c1-14-20(17-5-6-18(29-3)19(13-17)30-4)21-25-15(2)26-22(28(21)27-14)24-12-9-16-7-10-23-11-8-16/h5-8,10-11,13H,9,12H2,1-4H3,(H,24,25,26)
InChIKeyHVUAUCUQBDNWOF-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.47
Rot. Bonds7

About 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 139468419) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID139468419
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCCc4ccncc4)nc(C)nc23)cc1OC
InChIInChI=1S/C22H24N6O2/c1-14-20(17-5-6-18(29-3)19(13-17)30-4)21-25-15(2)26-22(28(21)27-14)24-12-9-16-7-10-23-11-8-16/h5-8,10-11,13H,9,12H2,1-4H3,(H,24,25,26)
InChIKeyHVUAUCUQBDNWOF-UHFFFAOYSA-N
XLogP3.47
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-(3,4-dimethoxyphenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 145215545
8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 135356185
[8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)
CID 153428280
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255731
[5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 135356461
7-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274773
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255736
methyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17147947
3-(3,4-dimethoxyphenyl)-2-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 22332914
3-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255771
3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255780
8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 90183224

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 139468419) is 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is COc1ccc(-c2c(C)nn3c(NCCc4ccncc4)nc(C)nc23)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is HVUAUCUQBDNWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-20(17-5-6-18(29-3)19(13-17)30-4)21-25-15(2)26-22(28(21)27-14)24-12-9-16-7-10-23-11-8-16/h5-8,10-11,13H,9,12H2,1-4H3,(H,24,25,26).
What are the key properties of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 404.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 139468419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).