9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine

C19H23N9O — CID 155975537

IUPAC9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine
SMILESCOCCn1cnc2c(N3CCN(c4nccn5nc(C)cc45)CC3)ncnc21
InChIInChI=1S/C19H23N9O/c1-14-11-15-17(20-3-4-28(15)24-14)25-5-7-26(8-6-25)18-16-19(22-12-21-18)27(13-23-16)9-10-29-2/h3-4,11-13H,5-10H2,1-2H3
InChIKeyOEMMQYOKYMSCFY-UHFFFAOYSA-N
MW393.46 g/mol
LogP1.15
Rot. Bonds5

About 9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine

9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine (PubChem CID 155975537) has the molecular formula C19H23N9O and a molecular weight of 393.46 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine.

Molecular Properties

Compound Name9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine
PubChem CID155975537
Molecular FormulaC19H23N9O
Molecular Weight393.46 g/mol
Exact Mass393.20
IUPAC Name9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine
SMILESCOCCn1cnc2c(N3CCN(c4nccn5nc(C)cc45)CC3)ncnc21
InChIInChI=1S/C19H23N9O/c1-14-11-15-17(20-3-4-28(15)24-14)25-5-7-26(8-6-25)18-16-19(22-12-21-18)27(13-23-16)9-10-29-2/h3-4,11-13H,5-10H2,1-2H3
InChIKeyOEMMQYOKYMSCFY-UHFFFAOYSA-N
XLogP1.15
TPSA89.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine?
The IUPAC name of 9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine (CID 155975537) is 9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine.
What is the SMILES notation for 9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine?
The canonical SMILES for 9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine is COCCn1cnc2c(N3CCN(c4nccn5nc(C)cc45)CC3)ncnc21.
What is the InChIKey of 9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine?
The InChIKey is OEMMQYOKYMSCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9O/c1-14-11-15-17(20-3-4-28(15)24-14)25-5-7-26(8-6-25)18-16-19(22-12-21-18)27(13-23-16)9-10-29-2/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of 9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine?
9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine has a molecular weight of 393.46 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine is sourced from PubChem (CID 155975537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).