3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol

C20H17F3N4O2S — CID 172542071

IUPAC3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
SMILESCOC1(C(F)(F)F)CC(O)(c2cc3ccc(-c4cnc5nn(C)cc5c4)nc3s2)C1
InChIInChI=1S/C20H17F3N4O2S/c1-27-8-13-5-12(7-24-16(13)26-27)14-4-3-11-6-15(30-17(11)25-14)18(28)9-19(10-18,29-2)20(21,22)23/h3-8,28H,9-10H2,1-2H3
InChIKeyBYKZUCNXARYEKL-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.17
Rot. Bonds3

About 3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol

3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 172542071) has the molecular formula C20H17F3N4O2S and a molecular weight of 434.44 g/mol. Its IUPAC name is 3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
PubChem CID172542071
Molecular FormulaC20H17F3N4O2S
Molecular Weight434.44 g/mol
Exact Mass434.10
IUPAC Name3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
SMILESCOC1(C(F)(F)F)CC(O)(c2cc3ccc(-c4cnc5nn(C)cc5c4)nc3s2)C1
InChIInChI=1S/C20H17F3N4O2S/c1-27-8-13-5-12(7-24-16(13)26-27)14-4-3-11-6-15(30-17(11)25-14)18(28)9-19(10-18,29-2)20(21,22)23/h3-8,28H,9-10H2,1-2H3
InChIKeyBYKZUCNXARYEKL-UHFFFAOYSA-N
XLogP4.17
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
3,3-dimethyl-1-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol
CID 172542176
(2R)-1,1,1-trifluoro-3-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol
CID 172542553
(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-[3-(trifluoromethyl)cyclobutyl]methanol
CID 172542089
1-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethoxy)cyclobutan-1-ol
CID 172542157
1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-4-(trifluoromethyl)pent-4-en-1-ol
CID 172582417
1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol
CID 172542262
2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol
CID 172582685
(S)-(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542122
2-(2-methoxycyclobutyl)-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine
CID 172582490
deuterio-(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542412
4-methoxy-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol
CID 172542535

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol (CID 172542071) is 3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol is COC1(C(F)(F)F)CC(O)(c2cc3ccc(-c4cnc5nn(C)cc5c4)nc3s2)C1.
What is the InChIKey of 3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is BYKZUCNXARYEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c1-27-8-13-5-12(7-24-16(13)26-27)14-4-3-11-6-15(30-17(11)25-14)18(28)9-19(10-18,29-2)20(21,22)23/h3-8,28H,9-10H2,1-2H3.
What are the key properties of 3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 434.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 172542071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).