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

C21H16F3N3O2S — CID 141278882

IUPAC[2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol
SMILESCOc1ccc(-c2cc3c(Nc4cccc(C(F)(F)F)c4)c(CO)cnc3s2)cn1
InChIInChI=1S/C21H16F3N3O2S/c1-29-18-6-5-12(9-25-18)17-8-16-19(13(11-28)10-26-20(16)30-17)27-15-4-2-3-14(7-15)21(22,23)24/h2-10,28H,11H2,1H3,(H,26,27)
InChIKeyNGQWMKTWEPYVEH-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.62
Rot. Bonds5

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

[2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol (PubChem CID 141278882) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is [2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol
PubChem CID141278882
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC Name[2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol
SMILESCOc1ccc(-c2cc3c(Nc4cccc(C(F)(F)F)c4)c(CO)cnc3s2)cn1
InChIInChI=1S/C21H16F3N3O2S/c1-29-18-6-5-12(9-25-18)17-8-16-19(13(11-28)10-26-20(16)30-17)27-15-4-2-3-14(7-15)21(22,23)24/h2-10,28H,11H2,1H3,(H,26,27)
InChIKeyNGQWMKTWEPYVEH-UHFFFAOYSA-N
XLogP5.62
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol with MolForge

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Related Compounds

[3-Amino-8-(pyridin-4-ylmethoxy)-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraen-4-yl]-pyridin-4-ylmethanol
CID 155553357
[4-[(1-Benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol
CID 90453308
6-Pyridin-4-yl-2-[[4-(trifluoromethoxy)anilino]methyl]thieno[2,3-b]pyridin-3-amine
CID 129099004
[2-(6-Methoxy-3-pyridinyl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]thieno[2,3-b]pyridin-5-yl]methanol
CID 141278900
5-(3-Fluoro-4-methoxyphenyl)-13-(prop-2-ynylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-ol
CID 143416611
Tert-butyl 4-[4-[[5-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-4-yl]amino]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 147499334
[4-[[5-(Tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol;carbamic acid
CID 174729886
US20240043440, Example 23
CID 135387935
5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
CID 162594039
[4-[[5-(Tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol
CID 174729887
6-(2-Methoxyphenyl)-2-(pyridin-4-yl)thieno[2,3-b]pyridin-3-amine
CID 42648397
[4-Amino-2-(2-methoxy-pyridin-4-yl)-thieno[2,3-d]pyrimidin-6-yl]-phenyl-methanol
CID 45274427

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol?
The IUPAC name of [2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol (CID 141278882) is [2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol.
What is the SMILES notation for [2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol?
The canonical SMILES for [2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol is COc1ccc(-c2cc3c(Nc4cccc(C(F)(F)F)c4)c(CO)cnc3s2)cn1.
What is the InChIKey of [2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol?
The InChIKey is NGQWMKTWEPYVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c1-29-18-6-5-12(9-25-18)17-8-16-19(13(11-28)10-26-20(16)30-17)27-15-4-2-3-14(7-15)21(22,23)24/h2-10,28H,11H2,1H3,(H,26,27).
What are the key properties of [2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol?
[2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol has a molecular weight of 431.44 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol is sourced from PubChem (CID 141278882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).