7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine

C18H16FN3S — CID 135152658

IUPAC7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine
SMILESCC1(C)N=C(c2cc3ccccc3nn2)c2sccc2C1(C)F
InChIInChI=1S/C18H16FN3S/c1-17(2)18(3,19)12-8-9-23-16(12)15(20-17)14-10-11-6-4-5-7-13(11)21-22-14/h4-10H,1-3H3
InChIKeyPZRQMRYPUOXKEL-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.51
Rot. Bonds1

About 7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine

7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine (PubChem CID 135152658) has the molecular formula C18H16FN3S and a molecular weight of 325.41 g/mol. Its IUPAC name is 7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine
PubChem CID135152658
Molecular FormulaC18H16FN3S
Molecular Weight325.41 g/mol
Exact Mass325.10
IUPAC Name7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine
SMILESCC1(C)N=C(c2cc3ccccc3nn2)c2sccc2C1(C)F
InChIInChI=1S/C18H16FN3S/c1-17(2)18(3,19)12-8-9-23-16(12)15(20-17)14-10-11-6-4-5-7-13(11)21-22-14/h4-10H,1-3H3
InChIKeyPZRQMRYPUOXKEL-UHFFFAOYSA-N
XLogP4.51
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine?
The IUPAC name of 7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine (CID 135152658) is 7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine.
What is the SMILES notation for 7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine?
The canonical SMILES for 7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine is CC1(C)N=C(c2cc3ccccc3nn2)c2sccc2C1(C)F.
What is the InChIKey of 7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine?
The InChIKey is PZRQMRYPUOXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3S/c1-17(2)18(3,19)12-8-9-23-16(12)15(20-17)14-10-11-6-4-5-7-13(11)21-22-14/h4-10H,1-3H3.
What are the key properties of 7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine?
7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine has a molecular weight of 325.41 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cinnolin-3-yl-4-fluoro-4,5,5-trimethylthieno[2,3-c]pyridine is sourced from PubChem (CID 135152658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).