4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine

C19H16FN5O — CID 91899760

IUPAC4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine
SMILESCc1cc(Oc2nccc3[nH]ncc23)c(F)cc1-c1c(C)ncnc1C
InChIInChI=1S/C19H16FN5O/c1-10-6-17(26-19-14-8-24-25-16(14)4-5-21-19)15(20)7-13(10)18-11(2)22-9-23-12(18)3/h4-9H,1-3H3,(H,24,25)
InChIKeyQHRCQFPLQLUIEV-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.27
Rot. Bonds3

About 4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine

4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine (PubChem CID 91899760) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine
PubChem CID91899760
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine
SMILESCc1cc(Oc2nccc3[nH]ncc23)c(F)cc1-c1c(C)ncnc1C
InChIInChI=1S/C19H16FN5O/c1-10-6-17(26-19-14-8-24-25-16(14)4-5-21-19)15(20)7-13(10)18-11(2)22-9-23-12(18)3/h4-9H,1-3H3,(H,24,25)
InChIKeyQHRCQFPLQLUIEV-UHFFFAOYSA-N
XLogP4.27
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine (CID 91899760) is 4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine is Cc1cc(Oc2nccc3[nH]ncc23)c(F)cc1-c1c(C)ncnc1C.
What is the InChIKey of 4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine?
The InChIKey is QHRCQFPLQLUIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-10-6-17(26-19-14-8-24-25-16(14)4-5-21-19)15(20)7-13(10)18-11(2)22-9-23-12(18)3/h4-9H,1-3H3,(H,24,25).
What are the key properties of 4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine?
4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine has a molecular weight of 349.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluoro-5-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 91899760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).