6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine

C11H7ClFN5 — CID 155387003

IUPAC6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine
SMILESFc1cncc(Cn2ncc3ncc(Cl)nc32)c1
InChIInChI=1S/C11H7ClFN5/c12-10-5-15-9-4-16-18(11(9)17-10)6-7-1-8(13)3-14-2-7/h1-5H,6H2
InChIKeyRNNGLWSBZLIMHP-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.06
Rot. Bonds2

About 6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine

6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine (PubChem CID 155387003) has the molecular formula C11H7ClFN5 and a molecular weight of 263.66 g/mol. Its IUPAC name is 6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine
PubChem CID155387003
Molecular FormulaC11H7ClFN5
Molecular Weight263.66 g/mol
Exact Mass263.04
IUPAC Name6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine
SMILESFc1cncc(Cn2ncc3ncc(Cl)nc32)c1
InChIInChI=1S/C11H7ClFN5/c12-10-5-15-9-4-16-18(11(9)17-10)6-7-1-8(13)3-14-2-7/h1-5H,6H2
InChIKeyRNNGLWSBZLIMHP-UHFFFAOYSA-N
XLogP2.06
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine (CID 155387003) is 6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine is Fc1cncc(Cn2ncc3ncc(Cl)nc32)c1.
What is the InChIKey of 6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine?
The InChIKey is RNNGLWSBZLIMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5/c12-10-5-15-9-4-16-18(11(9)17-10)6-7-1-8(13)3-14-2-7/h1-5H,6H2.
What are the key properties of 6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine?
6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine has a molecular weight of 263.66 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 155387003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).