N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine

C11H7ClFN5 — CID 53373766

IUPACN-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine
SMILESFc1ccc(Nc2[nH]nc3nccnc23)cc1Cl
InChIInChI=1S/C11H7ClFN5/c12-7-5-6(1-2-8(7)13)16-11-9-10(17-18-11)15-4-3-14-9/h1-5H,(H2,15,16,17,18)
InChIKeyBRWBJAJFMCUUKI-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.89
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine

N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 53373766) has the molecular formula C11H7ClFN5 and a molecular weight of 263.66 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine
PubChem CID53373766
Molecular FormulaC11H7ClFN5
Molecular Weight263.66 g/mol
Exact Mass263.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine
SMILESFc1ccc(Nc2[nH]nc3nccnc23)cc1Cl
InChIInChI=1S/C11H7ClFN5/c12-7-5-6(1-2-8(7)13)16-11-9-10(17-18-11)15-4-3-14-9/h1-5H,(H2,15,16,17,18)
InChIKeyBRWBJAJFMCUUKI-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 N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine (CID 53373766) is N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine is Fc1ccc(Nc2[nH]nc3nccnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The InChIKey is BRWBJAJFMCUUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5/c12-7-5-6(1-2-8(7)13)16-11-9-10(17-18-11)15-4-3-14-9/h1-5H,(H2,15,16,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine?
N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-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 N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 53373766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).