2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide

C18H26N10O — CID 175141151

IUPAC2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
SMILESCCn1nc(C)cc1NC(=O)Cn1cnc2c(N3CCN(C)CC3)nc(N)nc21
InChIInChI=1S/C18H26N10O/c1-4-28-13(9-12(2)24-28)21-14(29)10-27-11-20-15-16(22-18(19)23-17(15)27)26-7-5-25(3)6-8-26/h9,11H,4-8,10H2,1-3H3,(H,21,29)(H2,19,22,23)
InChIKeySVLLVHOPGFXQME-UHFFFAOYSA-N
MW398.48 g/mol
LogP0.32
Rot. Bonds5

About 2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide

2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide (PubChem CID 175141151) has the molecular formula C18H26N10O and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
PubChem CID175141151
Molecular FormulaC18H26N10O
Molecular Weight398.48 g/mol
Exact Mass398.23
IUPAC Name2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
SMILESCCn1nc(C)cc1NC(=O)Cn1cnc2c(N3CCN(C)CC3)nc(N)nc21
InChIInChI=1S/C18H26N10O/c1-4-28-13(9-12(2)24-28)21-14(29)10-27-11-20-15-16(22-18(19)23-17(15)27)26-7-5-25(3)6-8-26/h9,11H,4-8,10H2,1-3H3,(H,21,29)(H2,19,22,23)
InChIKeySVLLVHOPGFXQME-UHFFFAOYSA-N
XLogP0.32
TPSA123.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide (CID 175141151) is 2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide is CCn1nc(C)cc1NC(=O)Cn1cnc2c(N3CCN(C)CC3)nc(N)nc21.
What is the InChIKey of 2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
The InChIKey is SVLLVHOPGFXQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N10O/c1-4-28-13(9-12(2)24-28)21-14(29)10-27-11-20-15-16(22-18(19)23-17(15)27)26-7-5-25(3)6-8-26/h9,11H,4-8,10H2,1-3H3,(H,21,29)(H2,19,22,23).
What are the key properties of 2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide has a molecular weight of 398.48 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 175141151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).