6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine

C18H13F2N5 — CID 155388765

IUPAC6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESCc1c(F)ccc(-c2cnc3cnn(Cc4cccnn4)c3c2)c1F
InChIInChI=1S/C18H13F2N5/c1-11-15(19)5-4-14(18(11)20)12-7-17-16(21-8-12)9-23-25(17)10-13-3-2-6-22-24-13/h2-9H,10H2,1H3
InChIKeySFXFHNULNXRWIY-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.52
Rot. Bonds3

About 6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine

6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine (PubChem CID 155388765) has the molecular formula C18H13F2N5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
PubChem CID155388765
Molecular FormulaC18H13F2N5
Molecular Weight337.33 g/mol
Exact Mass337.11
IUPAC Name6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESCc1c(F)ccc(-c2cnc3cnn(Cc4cccnn4)c3c2)c1F
InChIInChI=1S/C18H13F2N5/c1-11-15(19)5-4-14(18(11)20)12-7-17-16(21-8-12)9-23-25(17)10-13-3-2-6-22-24-13/h2-9H,10H2,1H3
InChIKeySFXFHNULNXRWIY-UHFFFAOYSA-N
XLogP3.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine (CID 155388765) is 6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine is Cc1c(F)ccc(-c2cnc3cnn(Cc4cccnn4)c3c2)c1F.
What is the InChIKey of 6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is SFXFHNULNXRWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5/c1-11-15(19)5-4-14(18(11)20)12-7-17-16(21-8-12)9-23-25(17)10-13-3-2-6-22-24-13/h2-9H,10H2,1H3.
What are the key properties of 6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 337.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoro-3-methylphenyl)-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).