N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C11H14FN5 — CID 126857815

IUPACN-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CCCC3F)ncnc21
InChIInChI=1S/C11H14FN5/c1-17-11-7(5-15-17)10(13-6-14-11)16-9-4-2-3-8(9)12/h5-6,8-9H,2-4H2,1H3,(H,13,14,16)
InChIKeyVCZRVCNYVDSTLG-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.67
Rot. Bonds2

About N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126857815) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126857815
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC NameN-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CCCC3F)ncnc21
InChIInChI=1S/C11H14FN5/c1-17-11-7(5-15-17)10(13-6-14-11)16-9-4-2-3-8(9)12/h5-6,8-9H,2-4H2,1H3,(H,13,14,16)
InChIKeyVCZRVCNYVDSTLG-UHFFFAOYSA-N
XLogP1.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine 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 N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 126857815) is N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NC3CCCC3F)ncnc21.
What is the InChIKey of N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VCZRVCNYVDSTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-17-11-7(5-15-17)10(13-6-14-11)16-9-4-2-3-8(9)12/h5-6,8-9H,2-4H2,1H3,(H,13,14,16).
What are the key properties of N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 235.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorocyclopentyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126857815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).