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

C18H22N6O3 — CID 1367189

IUPACN-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccc(OC)c(Nc2nc3nonc3nc2N2CCC(C)CC2)c1
InChIInChI=1S/C18H22N6O3/c1-11-6-8-24(9-7-11)18-17(20-15-16(21-18)23-27-22-15)19-13-10-12(25-2)4-5-14(13)26-3/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,22)
InChIKeyBPHLYEHAXKQTPC-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.01
Rot. Bonds5

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

N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 1367189) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID1367189
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC NameN-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccc(OC)c(Nc2nc3nonc3nc2N2CCC(C)CC2)c1
InChIInChI=1S/C18H22N6O3/c1-11-6-8-24(9-7-11)18-17(20-15-16(21-18)23-27-22-15)19-13-10-12(25-2)4-5-14(13)26-3/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,22)
InChIKeyBPHLYEHAXKQTPC-UHFFFAOYSA-N
XLogP3.01
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-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

5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2869541
N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910799
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942873
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
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
4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43518537
4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine
CID 2854346
N-(2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869263
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 4292590
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25351726
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 N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 1367189) is N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is COc1ccc(OC)c(Nc2nc3nonc3nc2N2CCC(C)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is BPHLYEHAXKQTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-11-6-8-24(9-7-11)18-17(20-15-16(21-18)23-27-22-15)19-13-10-12(25-2)4-5-14(13)26-3/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 370.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 1367189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).