N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

C17H19FN6O — CID 160860268

IUPACN-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCN1CCC(Cc2nc3nonc3nc2Nc2ccccc2F)CC1
InChIInChI=1S/C17H19FN6O/c1-24-8-6-11(7-9-24)10-14-15(19-13-5-3-2-4-12(13)18)21-17-16(20-14)22-25-23-17/h2-5,11H,6-10H2,1H3,(H,19,21,23)
InChIKeySKJRMKPKIYTJHU-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.78
Rot. Bonds4

About N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (PubChem CID 160860268) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
PubChem CID160860268
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC NameN-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCN1CCC(Cc2nc3nonc3nc2Nc2ccccc2F)CC1
InChIInChI=1S/C17H19FN6O/c1-24-8-6-11(7-9-24)10-14-15(19-13-5-3-2-4-12(13)18)21-17-16(20-14)22-25-23-17/h2-5,11H,6-10H2,1H3,(H,19,21,23)
InChIKeySKJRMKPKIYTJHU-UHFFFAOYSA-N
XLogP2.78
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Bam15
CID 565708
6-(4-Fluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10712643
6-(3-Fluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10783815
N-Isopropyl-N'-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 945568
Furazano[3,4-b]pyrazine-5,6-diamine, N,N'-di(2,4-difluorophenyl)-
CID 597054
5-N,6-N-bis(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 698543
2-(3-aminopiperidin-1-yl)-3-benzyl-4-oxido-3H-imidazo[4,5-b]pyridin-4-ium
CID 23646516
(6-Morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)-o-tolyl-amine
CID 785747
N~5~,N~6~-bis(3-fluorophenyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1203031
N,N'-bis[3-(trifluoromethyl)phenyl][1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4653667
6-(2-Fluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10497816
6-(4-Fluoro-benzyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 12078329

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (CID 160860268) is N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is CN1CCC(Cc2nc3nonc3nc2Nc2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The InChIKey is SKJRMKPKIYTJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-24-8-6-11(7-9-24)10-14-15(19-13-5-3-2-4-12(13)18)21-17-16(20-14)22-25-23-17/h2-5,11H,6-10H2,1H3,(H,19,21,23).
What are the key properties of N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine has a molecular weight of 342.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-[(1-methylpiperidin-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 160860268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).