5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine

C18H16N4O2S — CID 134805773

IUPAC5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2cnc3n[nH]c(-c4sccc4C)c3n2)cc1OC
InChIInChI=1S/C18H16N4O2S/c1-10-6-7-25-17(10)15-16-18(22-21-15)19-9-12(20-16)11-4-5-13(23-2)14(8-11)24-3/h4-9H,1-3H3,(H,19,21,22)
InChIKeyLNBZNTWUBARWDS-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.07
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine

5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134805773) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134805773
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2cnc3n[nH]c(-c4sccc4C)c3n2)cc1OC
InChIInChI=1S/C18H16N4O2S/c1-10-6-7-25-17(10)15-16-18(22-21-15)19-9-12(20-16)11-4-5-13(23-2)14(8-11)24-3/h4-9H,1-3H3,(H,19,21,22)
InChIKeyLNBZNTWUBARWDS-UHFFFAOYSA-N
XLogP4.07
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine
CID 134807071
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 164627590
4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921933
4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine
CID 11164068
3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134805069
2-(3,4-dimethoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187794
3-(3,4-dimethoxyphenyl)-4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 6860233
6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine
CID 11404593
5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline
CID 1023805
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one
CID 91177029
5-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methoxybenzonitrile
CID 72943813

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 134805773) is 5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine is COc1ccc(-c2cnc3n[nH]c(-c4sccc4C)c3n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is LNBZNTWUBARWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-10-6-7-25-17(10)15-16-18(22-21-15)19-9-12(20-16)11-4-5-13(23-2)14(8-11)24-3/h4-9H,1-3H3,(H,19,21,22).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 352.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134805773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).