5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine

C13H10F2N4 — CID 168870637

IUPAC5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
SMILESNc1nn(Cc2ccccc2F)c2ncc(F)cc12
InChIInChI=1S/C13H10F2N4/c14-9-5-10-12(16)18-19(13(10)17-6-9)7-8-3-1-2-4-11(8)15/h1-6H,7H2,(H2,16,18)
InChIKeyLMDPEJJUXJONTK-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.34
Rot. Bonds2

About 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine

5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 168870637) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
PubChem CID168870637
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
SMILESNc1nn(Cc2ccccc2F)c2ncc(F)cc12
InChIInChI=1S/C13H10F2N4/c14-9-5-10-12(16)18-19(13(10)17-6-9)7-8-3-1-2-4-11(8)15/h1-6H,7H2,(H2,16,18)
InChIKeyLMDPEJJUXJONTK-UHFFFAOYSA-N
XLogP2.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine (CID 168870637) is 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine is Nc1nn(Cc2ccccc2F)c2ncc(F)cc12.
What is the InChIKey of 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is LMDPEJJUXJONTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c14-9-5-10-12(16)18-19(13(10)17-6-9)7-8-3-1-2-4-11(8)15/h1-6H,7H2,(H2,16,18).
What are the key properties of 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine?
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 260.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 168870637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).