7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine

C19H13F2N3OS — CID 118467518

IUPAC7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine
SMILESCc1ncnc(C)c1-c1cc(F)c(Oc2nccc3ccsc23)cc1F
InChIInChI=1S/C19H13F2N3OS/c1-10-17(11(2)24-9-23-10)13-7-15(21)16(8-14(13)20)25-19-18-12(3-5-22-19)4-6-26-18/h3-9H,1-2H3
InChIKeyFAHHPNWDFRYNEO-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.44
Rot. Bonds3

About 7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine

7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine (PubChem CID 118467518) has the molecular formula C19H13F2N3OS and a molecular weight of 369.40 g/mol. Its IUPAC name is 7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine
PubChem CID118467518
Molecular FormulaC19H13F2N3OS
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine
SMILESCc1ncnc(C)c1-c1cc(F)c(Oc2nccc3ccsc23)cc1F
InChIInChI=1S/C19H13F2N3OS/c1-10-17(11(2)24-9-23-10)13-7-15(21)16(8-14(13)20)25-19-18-12(3-5-22-19)4-6-26-18/h3-9H,1-2H3
InChIKeyFAHHPNWDFRYNEO-UHFFFAOYSA-N
XLogP5.44
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine?
The IUPAC name of 7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine (CID 118467518) is 7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine.
What is the SMILES notation for 7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine?
The canonical SMILES for 7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine is Cc1ncnc(C)c1-c1cc(F)c(Oc2nccc3ccsc23)cc1F.
What is the InChIKey of 7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine?
The InChIKey is FAHHPNWDFRYNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3OS/c1-10-17(11(2)24-9-23-10)13-7-15(21)16(8-14(13)20)25-19-18-12(3-5-22-19)4-6-26-18/h3-9H,1-2H3.
What are the key properties of 7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine?
7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine has a molecular weight of 369.40 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine is sourced from PubChem (CID 118467518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).