1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C14H22ClN5 — CID 57374017

IUPAC1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(Cl)CCCCC(C)n1ncc2c(N)ncnc21
InChIInChI=1S/C14H22ClN5/c1-3-11(15)7-5-4-6-10(2)20-14-12(8-19-20)13(16)17-9-18-14/h8-11H,3-7H2,1-2H3,(H2,16,17,18)
InChIKeyAZLPHRJRHYMRQG-UHFFFAOYSA-N
MW295.82 g/mol
LogP3.55
Rot. Bonds7

About 1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 57374017) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID57374017
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(Cl)CCCCC(C)n1ncc2c(N)ncnc21
InChIInChI=1S/C14H22ClN5/c1-3-11(15)7-5-4-6-10(2)20-14-12(8-19-20)13(16)17-9-18-14/h8-11H,3-7H2,1-2H3,(H2,16,17,18)
InChIKeyAZLPHRJRHYMRQG-UHFFFAOYSA-N
XLogP3.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 57374017) is 1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CCC(Cl)CCCCC(C)n1ncc2c(N)ncnc21.
What is the InChIKey of 1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AZLPHRJRHYMRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5/c1-3-11(15)7-5-4-6-10(2)20-14-12(8-19-20)13(16)17-9-18-14/h8-11H,3-7H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 295.82 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chlorononan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 57374017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).