6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H7ClFN5 — CID 71945239

IUPAC6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(Cl)nc3[nH]ncc23)cc1
InChIInChI=1S/C11H7ClFN5/c12-11-16-9(8-5-14-18-10(8)17-11)15-7-3-1-6(13)2-4-7/h1-5H,(H2,14,15,16,17,18)
InChIKeyNMLNPHPQRWZIJO-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.89
Rot. Bonds2

About 6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 71945239) has the molecular formula C11H7ClFN5 and a molecular weight of 263.66 g/mol. Its IUPAC name is 6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID71945239
Molecular FormulaC11H7ClFN5
Molecular Weight263.66 g/mol
Exact Mass263.04
IUPAC Name6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(Cl)nc3[nH]ncc23)cc1
InChIInChI=1S/C11H7ClFN5/c12-11-16-9(8-5-14-18-10(8)17-11)15-7-3-1-6(13)2-4-7/h1-5H,(H2,14,15,16,17,18)
InChIKeyNMLNPHPQRWZIJO-UHFFFAOYSA-N
XLogP2.89
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 71945239) is 6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(Nc2nc(Cl)nc3[nH]ncc23)cc1.
What is the InChIKey of 6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is NMLNPHPQRWZIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5/c12-11-16-9(8-5-14-18-10(8)17-11)15-7-3-1-6(13)2-4-7/h1-5H,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 263.66 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 71945239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).