N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C16H18N6O2 — CID 757617

IUPACN-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1
InChIInChI=1S/C16H18N6O2/c1-23-12-7-5-11(6-8-12)17-15-16(22-9-3-2-4-10-22)19-14-13(18-15)20-24-21-14/h5-8H,2-4,9-10H2,1H3,(H,17,18,20)
InChIKeyPYVXOFQEMRQIGC-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.76
Rot. Bonds4

About N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 757617) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID757617
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1
InChIInChI=1S/C16H18N6O2/c1-23-12-7-5-11(6-8-12)17-15-16(22-9-3-2-4-10-22)19-14-13(18-15)20-24-21-14/h5-8H,2-4,9-10H2,1H3,(H,17,18,20)
InChIKeyPYVXOFQEMRQIGC-UHFFFAOYSA-N
XLogP2.76
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(4-methoxyphenyl)piperazin-1-yl]-7H-purine
CID 756705
2-N-(4-methoxyphenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 3633635
6-(4-ethylpiperazin-1-yl)-2-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4-diamine
CID 3807312
(2-Methoxy-phenyl)-[6-(4-methyl-piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-amine
CID 1238729
5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482669
5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482684
(2E)-2-[(4-methoxyphenyl)imino]-6-(4-methylpiperazin-1-yl)-5-nitro-1,2-dihydropyrimidin-4-amine
CID 3355543
N-(2-methoxyphenyl)-6-(2-methylpiperidin-1-yl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 4530397
N~4~-(4-methoxyphenyl)-N~2~-methyl-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
CID 4656900
N-(4-Ethoxyphenyl)-6H,7H,8H,9H-pyrido[2,1-H]purin-4-amine
CID 16021671
2-N-(2-aminoethyl)-9-ethyl-6-N-(4-methoxyphenyl)purine-2,6-diamine
CID 44385083
3-{[4-(4-Methoxyphenyl)piperazin-1-yl]methyl}2,5,7-rimethylimidazo[1,2-c]pyrimidine
CID 45270813

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 757617) is N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is COc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is PYVXOFQEMRQIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-23-12-7-5-11(6-8-12)17-15-16(22-9-3-2-4-10-22)19-14-13(18-15)20-24-21-14/h5-8H,2-4,9-10H2,1H3,(H,17,18,20).
What are the key properties of N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 326.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 757617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).