4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C11H7ClFN5 — CID 56706662

IUPAC4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccc(F)cc2Cl)c2cn[nH]c2n1
InChIInChI=1S/C11H7ClFN5/c12-8-3-5(13)1-2-6(8)9-7-4-15-18-10(7)17-11(14)16-9/h1-4H,(H3,14,15,16,17,18)
InChIKeyMITCHEUWAAWARR-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.39
Rot. Bonds1

About 4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 56706662) has the molecular formula C11H7ClFN5 and a molecular weight of 263.66 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID56706662
Molecular FormulaC11H7ClFN5
Molecular Weight263.66 g/mol
Exact Mass263.04
IUPAC Name4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccc(F)cc2Cl)c2cn[nH]c2n1
InChIInChI=1S/C11H7ClFN5/c12-8-3-5(13)1-2-6(8)9-7-4-15-18-10(7)17-11(14)16-9/h1-4H,(H3,14,15,16,17,18)
InChIKeyMITCHEUWAAWARR-UHFFFAOYSA-N
XLogP2.39
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 56706662) is 4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(-c2ccc(F)cc2Cl)c2cn[nH]c2n1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is MITCHEUWAAWARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5/c12-8-3-5(13)1-2-6(8)9-7-4-15-18-10(7)17-11(14)16-9/h1-4H,(H3,14,15,16,17,18).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 263.66 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 56706662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).