2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide

C16H16ClN5O2 — CID 155387016

IUPAC2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(-c2cnc3cnn(CC(=O)N(C)C)c3n2)cc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-21(2)15(23)9-22-16-13(8-19-22)18-7-12(20-16)10-4-5-14(24-3)11(17)6-10/h4-8H,9H2,1-3H3
InChIKeyGVVYIZOSZOISFT-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.24
Rot. Bonds4

About 2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide

2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide (PubChem CID 155387016) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide
PubChem CID155387016
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(-c2cnc3cnn(CC(=O)N(C)C)c3n2)cc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-21(2)15(23)9-22-16-13(8-19-22)18-7-12(20-16)10-4-5-14(24-3)11(17)6-10/h4-8H,9H2,1-3H3
InChIKeyGVVYIZOSZOISFT-UHFFFAOYSA-N
XLogP2.24
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide (CID 155387016) is 2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide is COc1ccc(-c2cnc3cnn(CC(=O)N(C)C)c3n2)cc1Cl.
What is the InChIKey of 2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is GVVYIZOSZOISFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-21(2)15(23)9-22-16-13(8-19-22)18-7-12(20-16)10-4-5-14(24-3)11(17)6-10/h4-8H,9H2,1-3H3.
What are the key properties of 2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide?
2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 345.79 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 155387016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).