3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C24H26N4O4S — CID 118255731

IUPAC3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(S(C)(=O)=O)cc4)cc(C)nc23)cc1OC
InChIInChI=1S/C24H26N4O4S/c1-15-12-22(25-14-17-6-9-19(10-7-17)33(5,29)30)28-24(26-15)23(16(2)27-28)18-8-11-20(31-3)21(13-18)32-4/h6-13,25H,14H2,1-5H3
InChIKeyXYZQGIPODNTXIL-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.05
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 118255731) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID118255731
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(S(C)(=O)=O)cc4)cc(C)nc23)cc1OC
InChIInChI=1S/C24H26N4O4S/c1-15-12-22(25-14-17-6-9-19(10-7-17)33(5,29)30)28-24(26-15)23(16(2)27-28)18-8-11-20(31-3)21(13-18)32-4/h6-13,25H,14H2,1-5H3
InChIKeyXYZQGIPODNTXIL-UHFFFAOYSA-N
XLogP4.05
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine 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

3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255736
3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 135352500
N-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183438
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4179582
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine
CID 91826234
ethyl 4-[3-(4-methoxy-3-methylsulfonylphenyl)-2-methyl-7-[(3-methylsulfonylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 135356747
3-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255771
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
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 16668304
N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4905434
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)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 135356185

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 118255731) is 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nn3c(NCc4ccc(S(C)(=O)=O)cc4)cc(C)nc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XYZQGIPODNTXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-15-12-22(25-14-17-6-9-19(10-7-17)33(5,29)30)28-24(26-15)23(16(2)27-28)18-8-11-20(31-3)21(13-18)32-4/h6-13,25H,14H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 466.56 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 118255731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).