N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide

C16H20N8O — CID 23503349

IUPACN-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide
SMILESCCCn1c(-n2cccn2)nc2c(N)nc(NC(=O)C3CCC3)nc21
InChIInChI=1S/C16H20N8O/c1-2-8-23-13-11(19-16(23)24-9-4-7-18-24)12(17)20-15(21-13)22-14(25)10-5-3-6-10/h4,7,9-10H,2-3,5-6,8H2,1H3,(H3,17,20,21,22,25)
InChIKeyOPCXYFNRHSZWCR-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.74
Rot. Bonds5

About N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide

N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide (PubChem CID 23503349) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide
PubChem CID23503349
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC NameN-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide
SMILESCCCn1c(-n2cccn2)nc2c(N)nc(NC(=O)C3CCC3)nc21
InChIInChI=1S/C16H20N8O/c1-2-8-23-13-11(19-16(23)24-9-4-7-18-24)12(17)20-15(21-13)22-14(25)10-5-3-6-10/h4,7,9-10H,2-3,5-6,8H2,1H3,(H3,17,20,21,22,25)
InChIKeyOPCXYFNRHSZWCR-UHFFFAOYSA-N
XLogP1.74
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide (CID 23503349) is N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide is CCCn1c(-n2cccn2)nc2c(N)nc(NC(=O)C3CCC3)nc21.
What is the InChIKey of N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide?
The InChIKey is OPCXYFNRHSZWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-2-8-23-13-11(19-16(23)24-9-4-7-18-24)12(17)20-15(21-13)22-14(25)10-5-3-6-10/h4,7,9-10H,2-3,5-6,8H2,1H3,(H3,17,20,21,22,25).
What are the key properties of N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide?
N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)cyclobutanecarboxamide is sourced from PubChem (CID 23503349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).