1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol

C18H14F3N5OS — CID 172542107

IUPAC1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
SMILESCn1cnc2ncc(-c3ncc4cc(C5(O)CC(C(F)(F)F)C5)sc4n3)cc21
InChIInChI=1S/C18H14F3N5OS/c1-26-8-24-15-12(26)2-9(6-23-15)14-22-7-10-3-13(28-16(10)25-14)17(27)4-11(5-17)18(19,20)21/h2-3,6-8,11,27H,4-5H2,1H3
InChIKeyULWLSMARKORVOX-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.80
Rot. Bonds2

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

1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 172542107) has the molecular formula C18H14F3N5OS and a molecular weight of 405.41 g/mol. Its IUPAC name is 1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
PubChem CID172542107
Molecular FormulaC18H14F3N5OS
Molecular Weight405.41 g/mol
Exact Mass405.09
IUPAC Name1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
SMILESCn1cnc2ncc(-c3ncc4cc(C5(O)CC(C(F)(F)F)C5)sc4n3)cc21
InChIInChI=1S/C18H14F3N5OS/c1-26-8-24-15-12(26)2-9(6-23-15)14-22-7-10-3-13(28-16(10)25-14)17(27)4-11(5-17)18(19,20)21/h2-3,6-8,11,27H,4-5H2,1H3
InChIKeyULWLSMARKORVOX-UHFFFAOYSA-N
XLogP3.80
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol with MolForge

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Related Compounds

[5-(1-Pyridin-4-ylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134149171
1-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542130
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
[3-[2-(1,3-Benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824625
2-(4-((S)-2-((5H-pyrrolo[2,3-b]pyrazin-5-yl)methyl)-4-(thiophen-2-ylsulfonyl)piperazin-1-yl)phenyl)-1,1,1-trifluoro-2-propanol
CID 66582534
1,1,1-Trifluoro-2-[4-[2-(pyrrolo[2,3-b]pyrazin-5-ylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 66582535
(2S)-1,1,1-trifluoro-2-[4-[(2S)-2-(pyrrolo[2,3-b]pyrazin-5-ylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 66583037
1,1,3-trifluoro-2-[4-[(2S)-2-(pyrrolo[2,3-b]pyrazin-5-ylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 66584075
4-(4-Fluorophenyl)-1-(4-phenyl-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl)piperidin-4-ol
CID 70050627
(2R)-1,1,1-trifluoro-2-[4-[(2S)-2-(pyrrolo[2,3-b]pyrazin-5-ylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 70655894
2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]propane-1,3-diol
CID 70909926
2-[[6-ethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxymethyl]butan-1-ol
CID 91319106

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol (CID 172542107) is 1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol is Cn1cnc2ncc(-c3ncc4cc(C5(O)CC(C(F)(F)F)C5)sc4n3)cc21.
What is the InChIKey of 1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is ULWLSMARKORVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5OS/c1-26-8-24-15-12(26)2-9(6-23-15)14-22-7-10-3-13(28-16(10)25-14)17(27)4-11(5-17)18(19,20)21/h2-3,6-8,11,27H,4-5H2,1H3.
What are the key properties of 1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 405.41 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 172542107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).