[2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol

C20H15F3N4O2S — CID 141278900

IUPAC[2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol
SMILESCOc1ccc(-c2cc3c(Nc4cc(C(F)(F)F)ccn4)c(CO)cnc3s2)cn1
InChIInChI=1S/C20H15F3N4O2S/c1-29-17-3-2-11(8-25-17)15-7-14-18(12(10-28)9-26-19(14)30-15)27-16-6-13(4-5-24-16)20(21,22)23/h2-9,28H,10H2,1H3,(H,24,26,27)
InChIKeyIEZFRFPTKFWHDZ-UHFFFAOYSA-N
MW432.43 g/mol
LogP5.02
Rot. Bonds5

About [2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol

[2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol (PubChem CID 141278900) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is [2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol
PubChem CID141278900
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC Name[2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol
SMILESCOc1ccc(-c2cc3c(Nc4cc(C(F)(F)F)ccn4)c(CO)cnc3s2)cn1
InChIInChI=1S/C20H15F3N4O2S/c1-29-17-3-2-11(8-25-17)15-7-14-18(12(10-28)9-26-19(14)30-15)27-16-6-13(4-5-24-16)20(21,22)23/h2-9,28H,10H2,1H3,(H,24,26,27)
InChIKeyIEZFRFPTKFWHDZ-UHFFFAOYSA-N
XLogP5.02
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.43
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol?
The IUPAC name of [2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol (CID 141278900) is [2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol.
What is the SMILES notation for [2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol?
The canonical SMILES for [2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol is COc1ccc(-c2cc3c(Nc4cc(C(F)(F)F)ccn4)c(CO)cnc3s2)cn1.
What is the InChIKey of [2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol?
The InChIKey is IEZFRFPTKFWHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c1-29-17-3-2-11(8-25-17)15-7-14-18(12(10-28)9-26-19(14)30-15)27-16-6-13(4-5-24-16)20(21,22)23/h2-9,28H,10H2,1H3,(H,24,26,27).
What are the key properties of [2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol?
[2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol has a molecular weight of 432.43 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol is sourced from PubChem (CID 141278900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).