N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C18H20FN5O — CID 56818906

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC3(c4ccc(F)cc4)CCOCC3)ncnc21
InChIInChI=1S/C18H20FN5O/c1-24-17-15(10-23-24)16(21-12-22-17)20-11-18(6-8-25-9-7-18)13-2-4-14(19)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,20,21,22)
InChIKeyYIMWWUUYCHGGPI-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.66
Rot. Bonds4

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56818906) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56818906
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC3(c4ccc(F)cc4)CCOCC3)ncnc21
InChIInChI=1S/C18H20FN5O/c1-24-17-15(10-23-24)16(21-12-22-17)20-11-18(6-8-25-9-7-18)13-2-4-14(19)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,20,21,22)
InChIKeyYIMWWUUYCHGGPI-UHFFFAOYSA-N
XLogP2.66
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-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-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56818906) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCC3(c4ccc(F)cc4)CCOCC3)ncnc21.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YIMWWUUYCHGGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-24-17-15(10-23-24)16(21-12-22-17)20-11-18(6-8-25-9-7-18)13-2-4-14(19)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,20,21,22).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 341.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56818906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).