1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine

C13H9F3N4 — CID 130348871

IUPAC1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2c(F)cncc2F)c2ncc(F)cc12
InChIInChI=1S/C13H9F3N4/c1-7-9-2-8(14)3-18-13(9)20(19-7)6-10-11(15)4-17-5-12(10)16/h2-5H,6H2,1H3
InChIKeyZJCVGOTWZUXVIQ-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.60
Rot. Bonds2

About 1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine

1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 130348871) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine
PubChem CID130348871
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2c(F)cncc2F)c2ncc(F)cc12
InChIInChI=1S/C13H9F3N4/c1-7-9-2-8(14)3-18-13(9)20(19-7)6-10-11(15)4-17-5-12(10)16/h2-5H,6H2,1H3
InChIKeyZJCVGOTWZUXVIQ-UHFFFAOYSA-N
XLogP2.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Pf-05180999
CID 60143346
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
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R121919
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4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
Unc569
CID 53355503
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine (CID 130348871) is 1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine is Cc1nn(Cc2c(F)cncc2F)c2ncc(F)cc12.
What is the InChIKey of 1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is ZJCVGOTWZUXVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c1-7-9-2-8(14)3-18-13(9)20(19-7)6-10-11(15)4-17-5-12(10)16/h2-5H,6H2,1H3.
What are the key properties of 1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine?
1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 278.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 130348871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).