4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine

C19H14F2N4O — CID 86767100

IUPAC4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine
SMILESCc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ccc23)c(F)c1F
InChIInChI=1S/C19H14F2N4O/c1-10-16(11(2)25-9-24-10)13-3-4-15(18(21)17(13)20)26-19-12-5-7-22-14(12)6-8-23-19/h3-9,22H,1-2H3
InChIKeyGJTYTYLNEKAWDJ-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.71
Rot. Bonds3

About 4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine

4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine (PubChem CID 86767100) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine
PubChem CID86767100
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine
SMILESCc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ccc23)c(F)c1F
InChIInChI=1S/C19H14F2N4O/c1-10-16(11(2)25-9-24-10)13-3-4-15(18(21)17(13)20)26-19-12-5-7-22-14(12)6-8-23-19/h3-9,22H,1-2H3
InChIKeyGJTYTYLNEKAWDJ-UHFFFAOYSA-N
XLogP4.71
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine (CID 86767100) is 4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine is Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ccc23)c(F)c1F.
What is the InChIKey of 4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is GJTYTYLNEKAWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-10-16(11(2)25-9-24-10)13-3-4-15(18(21)17(13)20)26-19-12-5-7-22-14(12)6-8-23-19/h3-9,22H,1-2H3.
What are the key properties of 4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine?
4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 352.34 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenoxy]-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 86767100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).