5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C20H17FN4OS — CID 56745940

IUPAC5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1sc2ncnc(N3CCc4onc(-c5cccc(F)c5)c4C3)c2c1C
InChIInChI=1S/C20H17FN4OS/c1-11-12(2)27-20-17(11)19(22-10-23-20)25-7-6-16-15(9-25)18(24-26-16)13-4-3-5-14(21)8-13/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyOZOBWSYJUGYTGI-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.66
Rot. Bonds2

About 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56745940) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56745940
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1sc2ncnc(N3CCc4onc(-c5cccc(F)c5)c4C3)c2c1C
InChIInChI=1S/C20H17FN4OS/c1-11-12(2)27-20-17(11)19(22-10-23-20)25-7-6-16-15(9-25)18(24-26-16)13-4-3-5-14(21)8-13/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyOZOBWSYJUGYTGI-UHFFFAOYSA-N
XLogP4.66
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56745940) is 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1sc2ncnc(N3CCc4onc(-c5cccc(F)c5)c4C3)c2c1C.
What is the InChIKey of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is OZOBWSYJUGYTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-11-12(2)27-20-17(11)19(22-10-23-20)25-7-6-16-15(9-25)18(24-26-16)13-4-3-5-14(21)8-13/h3-5,8,10H,6-7,9H2,1-2H3.
What are the key properties of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 380.45 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56745940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).