1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol

C17H13F3N4OS — CID 172542139

IUPAC1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol
SMILESCn1cc2cc(-c3ccc4cc(C(C)(O)C(F)(F)F)sc4n3)cnc2n1
InChIInChI=1S/C17H13F3N4OS/c1-16(25,17(18,19)20)13-6-9-3-4-12(22-15(9)26-13)10-5-11-8-24(2)23-14(11)21-7-10/h3-8,25H,1-2H3
InChIKeyWHKWCJUVNDNVMT-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.01
Rot. Bonds2

About 1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol

1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol (PubChem CID 172542139) has the molecular formula C17H13F3N4OS and a molecular weight of 378.38 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol
PubChem CID172542139
Molecular FormulaC17H13F3N4OS
Molecular Weight378.38 g/mol
Exact Mass378.08
IUPAC Name1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol
SMILESCn1cc2cc(-c3ccc4cc(C(C)(O)C(F)(F)F)sc4n3)cnc2n1
InChIInChI=1S/C17H13F3N4OS/c1-16(25,17(18,19)20)13-6-9-3-4-12(22-15(9)26-13)10-5-11-8-24(2)23-14(11)21-7-10/h3-8,25H,1-2H3
InChIKeyWHKWCJUVNDNVMT-UHFFFAOYSA-N
XLogP4.01
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol (CID 172542139) is 1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol is Cn1cc2cc(-c3ccc4cc(C(C)(O)C(F)(F)F)sc4n3)cnc2n1.
What is the InChIKey of 1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol?
The InChIKey is WHKWCJUVNDNVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4OS/c1-16(25,17(18,19)20)13-6-9-3-4-12(22-15(9)26-13)10-5-11-8-24(2)23-14(11)21-7-10/h3-8,25H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol?
1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol has a molecular weight of 378.38 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol is sourced from PubChem (CID 172542139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).