4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C16H10F3N3S2 — CID 126729598

IUPAC4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCc1cc2sc(-c3ccnc(-c4cc(C(F)(F)F)[nH]n4)c3)cc2s1
InChIInChI=1S/C16H10F3N3S2/c1-8-4-13-14(23-8)7-12(24-13)9-2-3-20-10(5-9)11-6-15(22-21-11)16(17,18)19/h2-7H,1H3,(H,21,22)
InChIKeyAOHIQXFKWNLGFR-UHFFFAOYSA-N
MW365.41 g/mol
LogP5.74
Rot. Bonds2

About 4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 126729598) has the molecular formula C16H10F3N3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID126729598
Molecular FormulaC16H10F3N3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC Name4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCc1cc2sc(-c3ccnc(-c4cc(C(F)(F)F)[nH]n4)c3)cc2s1
InChIInChI=1S/C16H10F3N3S2/c1-8-4-13-14(23-8)7-12(24-13)9-2-3-20-10(5-9)11-6-15(22-21-11)16(17,18)19/h2-7H,1H3,(H,21,22)
InChIKeyAOHIQXFKWNLGFR-UHFFFAOYSA-N
XLogP5.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.41
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 126729598) is 4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is Cc1cc2sc(-c3ccnc(-c4cc(C(F)(F)F)[nH]n4)c3)cc2s1.
What is the InChIKey of 4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is AOHIQXFKWNLGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3S2/c1-8-4-13-14(23-8)7-12(24-13)9-2-3-20-10(5-9)11-6-15(22-21-11)16(17,18)19/h2-7H,1H3,(H,21,22).
What are the key properties of 4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 365.41 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 126729598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).