1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol

C15H13F3N4OS — CID 172542041

IUPAC1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
SMILESCn1cc(-c2ncc3cc(C4(O)CC(C(F)(F)F)C4)sc3n2)cn1
InChIInChI=1S/C15H13F3N4OS/c1-22-7-9(6-20-22)12-19-5-8-2-11(24-13(8)21-12)14(23)3-10(4-14)15(16,17)18/h2,5-7,10,23H,3-4H2,1H3
InChIKeyDMWDHJUEDWJBAT-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.25
Rot. Bonds2

About 1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol

1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 172542041) has the molecular formula C15H13F3N4OS and a molecular weight of 354.36 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
PubChem CID172542041
Molecular FormulaC15H13F3N4OS
Molecular Weight354.36 g/mol
Exact Mass354.08
IUPAC Name1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
SMILESCn1cc(-c2ncc3cc(C4(O)CC(C(F)(F)F)C4)sc3n2)cn1
InChIInChI=1S/C15H13F3N4OS/c1-22-7-9(6-20-22)12-19-5-8-2-11(24-13(8)21-12)14(23)3-10(4-14)15(16,17)18/h2,5-7,10,23H,3-4H2,1H3
InChIKeyDMWDHJUEDWJBAT-UHFFFAOYSA-N
XLogP3.25
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542130
5-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
CID 172542222
3,3-Dimethyl-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542572
2,2,2-Trifluoro-1-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-6-yl]ethanol
CID 90453099
4-[2-[(1-Methylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-6-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 165051100
1-[2-([1,2,4]Triazolo[4,3-a]pyrimidin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542036
1-[5-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542042
(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol
CID 172542045
(2,2-Difluorocyclopropyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542049
(3,3-Difluorocyclobutyl)-[6-(2-ethylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542061
2,2-Difluoro-5-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]spiro[2.3]hexan-5-ol
CID 172542066
(S)-[(1R)-2,2-difluorocyclopropyl]-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542070

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol (CID 172542041) is 1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol is Cn1cc(-c2ncc3cc(C4(O)CC(C(F)(F)F)C4)sc3n2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is DMWDHJUEDWJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS/c1-22-7-9(6-20-22)12-19-5-8-2-11(24-13(8)21-12)14(23)3-10(4-14)15(16,17)18/h2,5-7,10,23H,3-4H2,1H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 354.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 172542041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).