5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C18H15FN6O3 — CID 2869541

IUPAC5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOc1ccc(OC)c(Nc2nc3nonc3nc2Nc2ccccc2F)c1
InChIInChI=1S/C18H15FN6O3/c1-26-10-7-8-14(27-2)13(9-10)21-16-15(20-12-6-4-3-5-11(12)19)22-17-18(23-16)25-28-24-17/h3-9H,1-2H3,(H,20,22,24)(H,21,23,25)
InChIKeyIVHJQLPPTOUKIQ-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.66
Rot. Bonds6

About 5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 2869541) has the molecular formula C18H15FN6O3 and a molecular weight of 382.36 g/mol. Its IUPAC name is 5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID2869541
Molecular FormulaC18H15FN6O3
Molecular Weight382.36 g/mol
Exact Mass382.12
IUPAC Name5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOc1ccc(OC)c(Nc2nc3nonc3nc2Nc2ccccc2F)c1
InChIInChI=1S/C18H15FN6O3/c1-26-10-7-8-14(27-2)13(9-10)21-16-15(20-12-6-4-3-5-11(12)19)22-17-18(23-16)25-28-24-17/h3-9H,1-2H3,(H,20,22,24)(H,21,23,25)
InChIKeyIVHJQLPPTOUKIQ-UHFFFAOYSA-N
XLogP3.66
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 135387146
5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482684
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929390
4-[[6-(2,5-dimethoxyanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1109901
N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 1367189
5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482661
5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 146200481
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536
4-N-(2,4-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877821
6-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100738
5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11676208

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 2869541) is 5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COc1ccc(OC)c(Nc2nc3nonc3nc2Nc2ccccc2F)c1.
What is the InChIKey of 5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is IVHJQLPPTOUKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O3/c1-26-10-7-8-14(27-2)13(9-10)21-16-15(20-12-6-4-3-5-11(12)19)22-17-18(23-16)25-28-24-17/h3-9H,1-2H3,(H,20,22,24)(H,21,23,25).
What are the key properties of 5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 382.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 2869541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).