7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine

C17H17FN4S — CID 135152403

IUPAC7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine
SMILESCC1(C)N=C(c2cnc3c(F)ncn3c2)c2sccc2C1(C)C
InChIInChI=1S/C17H17FN4S/c1-16(2)11-5-6-23-13(11)12(21-17(16,3)4)10-7-19-15-14(18)20-9-22(15)8-10/h5-9H,1-4H3
InChIKeyNNRDCRJLIYZLEU-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.84
Rot. Bonds1

About 7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine

7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine (PubChem CID 135152403) has the molecular formula C17H17FN4S and a molecular weight of 328.42 g/mol. Its IUPAC name is 7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine
PubChem CID135152403
Molecular FormulaC17H17FN4S
Molecular Weight328.42 g/mol
Exact Mass328.12
IUPAC Name7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine
SMILESCC1(C)N=C(c2cnc3c(F)ncn3c2)c2sccc2C1(C)C
InChIInChI=1S/C17H17FN4S/c1-16(2)11-5-6-23-13(11)12(21-17(16,3)4)10-7-19-15-14(18)20-9-22(15)8-10/h5-9H,1-4H3
InChIKeyNNRDCRJLIYZLEU-UHFFFAOYSA-N
XLogP3.84
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine?
The IUPAC name of 7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine (CID 135152403) is 7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine.
What is the SMILES notation for 7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine?
The canonical SMILES for 7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine is CC1(C)N=C(c2cnc3c(F)ncn3c2)c2sccc2C1(C)C.
What is the InChIKey of 7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine?
The InChIKey is NNRDCRJLIYZLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4S/c1-16(2)11-5-6-23-13(11)12(21-17(16,3)4)10-7-19-15-14(18)20-9-22(15)8-10/h5-9H,1-4H3.
What are the key properties of 7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine?
7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine has a molecular weight of 328.42 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine is sourced from PubChem (CID 135152403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).