3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C24H24ClFN6O — CID 130203680

IUPAC3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCCC(n2nc(-c3ccc(OCc4ccccc4F)c(Cl)c3)c3c(N)ncnc32)C1
InChIInChI=1S/C24H24ClFN6O/c1-31-10-4-6-17(12-31)32-24-21(23(27)28-14-29-24)22(30-32)15-8-9-20(18(25)11-15)33-13-16-5-2-3-7-19(16)26/h2-3,5,7-9,11,14,17H,4,6,10,12-13H2,1H3,(H2,27,28,29)
InChIKeyYEQIWBDCEKRBRW-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.71
Rot. Bonds5

About 3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 130203680) has the molecular formula C24H24ClFN6O and a molecular weight of 466.95 g/mol. Its IUPAC name is 3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID130203680
Molecular FormulaC24H24ClFN6O
Molecular Weight466.95 g/mol
Exact Mass466.17
IUPAC Name3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCCC(n2nc(-c3ccc(OCc4ccccc4F)c(Cl)c3)c3c(N)ncnc32)C1
InChIInChI=1S/C24H24ClFN6O/c1-31-10-4-6-17(12-31)32-24-21(23(27)28-14-29-24)22(30-32)15-8-9-20(18(25)11-15)33-13-16-5-2-3-7-19(16)26/h2-3,5,7-9,11,14,17H,4,6,10,12-13H2,1H3,(H2,27,28,29)
InChIKeyYEQIWBDCEKRBRW-UHFFFAOYSA-N
XLogP4.71
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[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 3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 130203680) is 3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CN1CCCC(n2nc(-c3ccc(OCc4ccccc4F)c(Cl)c3)c3c(N)ncnc32)C1.
What is the InChIKey of 3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YEQIWBDCEKRBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6O/c1-31-10-4-6-17(12-31)32-24-21(23(27)28-14-29-24)22(30-32)15-8-9-20(18(25)11-15)33-13-16-5-2-3-7-19(16)26/h2-3,5,7-9,11,14,17H,4,6,10,12-13H2,1H3,(H2,27,28,29).
What are the key properties of 3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 466.95 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 130203680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).