2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate

C23H22N4O4 — CID 139633679

IUPAC2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate
SMILESCOc1ccc(-c2nc3cnn(CCOC(C)=O)c3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22N4O4/c1-15(28)31-13-12-27-23-20(14-24-27)25-21(16-4-8-18(29-2)9-5-16)22(26-23)17-6-10-19(30-3)11-7-17/h4-11,14H,12-13H2,1-3H3
InChIKeyIUTLMSFFIGKNQG-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.74
Rot. Bonds7

About 2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate

2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate (PubChem CID 139633679) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate
PubChem CID139633679
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate
SMILESCOc1ccc(-c2nc3cnn(CCOC(C)=O)c3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22N4O4/c1-15(28)31-13-12-27-23-20(14-24-27)25-21(16-4-8-18(29-2)9-5-16)22(26-23)17-6-10-19(30-3)11-7-17/h4-11,14H,12-13H2,1-3H3
InChIKeyIUTLMSFFIGKNQG-UHFFFAOYSA-N
XLogP3.74
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid
CID 148527421
2-(5-fluoroindazol-1-yl)ethyl acetate
CID 151811736
4-[5-(4-methoxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170502990
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620164
methyl 1-(2-acetyloxyethyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 70536884
4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
CID 82447655
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
[3-(4-methoxyphenyl)triazol-4-yl]methyl acetate
CID 11160955
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
1-ethyl-5-(4-methoxyphenyl)pyrazol-4-amine
CID 105471347
2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate
CID 10754920
2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one
CID 3234766

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate?
The IUPAC name of 2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate (CID 139633679) is 2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate?
The canonical SMILES for 2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate is COc1ccc(-c2nc3cnn(CCOC(C)=O)c3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate?
The InChIKey is IUTLMSFFIGKNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-15(28)31-13-12-27-23-20(14-24-27)25-21(16-4-8-18(29-2)9-5-16)22(26-23)17-6-10-19(30-3)11-7-17/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate?
2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate has a molecular weight of 418.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-bis(4-methoxyphenyl)pyrazolo[4,5-b]pyrazin-1-yl]ethyl acetate is sourced from PubChem (CID 139633679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).