3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol

C19H16FN5O — CID 172556510

IUPAC3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol
SMILESCc1ncc(-c2[nH]c3ncc(-c4c(C)ccc(O)c4C)nc3c2F)cn1
InChIInChI=1S/C19H16FN5O/c1-9-4-5-14(26)10(2)15(9)13-8-23-19-18(24-13)16(20)17(25-19)12-6-21-11(3)22-7-12/h4-8,26H,1-3H3,(H,23,25)
InChIKeyFQXYGJVEWDEDIX-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.85
Rot. Bonds2

About 3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol

3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol (PubChem CID 172556510) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol.

Molecular Properties

Compound Name3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol
PubChem CID172556510
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol
SMILESCc1ncc(-c2[nH]c3ncc(-c4c(C)ccc(O)c4C)nc3c2F)cn1
InChIInChI=1S/C19H16FN5O/c1-9-4-5-14(26)10(2)15(9)13-8-23-19-18(24-13)16(20)17(25-19)12-6-21-11(3)22-7-12/h4-8,26H,1-3H3,(H,23,25)
InChIKeyFQXYGJVEWDEDIX-UHFFFAOYSA-N
XLogP3.85
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol?
The IUPAC name of 3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol (CID 172556510) is 3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol.
What is the SMILES notation for 3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol?
The canonical SMILES for 3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol is Cc1ncc(-c2[nH]c3ncc(-c4c(C)ccc(O)c4C)nc3c2F)cn1.
What is the InChIKey of 3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol?
The InChIKey is FQXYGJVEWDEDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-9-4-5-14(26)10(2)15(9)13-8-23-19-18(24-13)16(20)17(25-19)12-6-21-11(3)22-7-12/h4-8,26H,1-3H3,(H,23,25).
What are the key properties of 3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol?
3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol has a molecular weight of 349.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-fluoro-6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2,4-dimethylphenol is sourced from PubChem (CID 172556510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).