7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine

C24H22N4O2Se — CID 164618474

IUPAC7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine
SMILESCOc1cc(-c2cncc3cc(-c4ccc5c(ccn5C)c4)nn23)cc([Se]C)c1OC
InChIInChI=1S/C24H22N4O2Se/c1-27-8-7-16-9-15(5-6-20(16)27)19-12-18-13-25-14-21(28(18)26-19)17-10-22(29-2)24(30-3)23(11-17)31-4/h5-14H,1-4H3
InChIKeyVZCSKHJNDISYIO-UHFFFAOYSA-N
MW477.43 g/mol
LogP3.95
Rot. Bonds5

About 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine

7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 164618474) has the molecular formula C24H22N4O2Se and a molecular weight of 477.43 g/mol. Its IUPAC name is 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine
PubChem CID164618474
Molecular FormulaC24H22N4O2Se
Molecular Weight477.43 g/mol
Exact Mass478.09
IUPAC Name7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine
SMILESCOc1cc(-c2cncc3cc(-c4ccc5c(ccn5C)c4)nn23)cc([Se]C)c1OC
InChIInChI=1S/C24H22N4O2Se/c1-27-8-7-16-9-15(5-6-20(16)27)19-12-18-13-25-14-21(28(18)26-19)17-10-22(29-2)24(30-3)23(11-17)31-4/h5-14H,1-4H3
InChIKeyVZCSKHJNDISYIO-UHFFFAOYSA-N
XLogP3.95
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine (CID 164618474) is 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine is COc1cc(-c2cncc3cc(-c4ccc5c(ccn5C)c4)nn23)cc([Se]C)c1OC.
What is the InChIKey of 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is VZCSKHJNDISYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2Se/c1-27-8-7-16-9-15(5-6-20(16)27)19-12-18-13-25-14-21(28(18)26-19)17-10-22(29-2)24(30-3)23(11-17)31-4/h5-14H,1-4H3.
What are the key properties of 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine?
7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 477.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 164618474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).