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

C16H17FN6O — CID 781876

IUPACN-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESC[C@@H]1CCCN(c2nc3nonc3nc2Nc2ccccc2F)C1
InChIInChI=1S/C16H17FN6O/c1-10-5-4-8-23(9-10)16-15(18-12-7-3-2-6-11(12)17)19-13-14(20-16)22-24-21-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19,21)/t10-/m1/s1
InChIKeyBSVZHFVJPUELMN-SNVBAGLBSA-N
MW328.35 g/mol
LogP3.13
Rot. Bonds3

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

N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 781876) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID781876
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC NameN-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESC[C@@H]1CCCN(c2nc3nonc3nc2Nc2ccccc2F)C1
InChIInChI=1S/C16H17FN6O/c1-10-5-4-8-23(9-10)16-15(18-12-7-3-2-6-11(12)17)19-13-14(20-16)22-24-21-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19,21)/t10-/m1/s1
InChIKeyBSVZHFVJPUELMN-SNVBAGLBSA-N
XLogP3.13
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 781876) is N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is C[C@@H]1CCCN(c2nc3nonc3nc2Nc2ccccc2F)C1.
What is the InChIKey of N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is BSVZHFVJPUELMN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17FN6O/c1-10-5-4-8-23(9-10)16-15(18-12-7-3-2-6-11(12)17)19-13-14(20-16)22-24-21-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19,21)/t10-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 328.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 781876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).