3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol

C18H14F2N4OS — CID 172542329

IUPAC3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
SMILESCc1cn2cc(-c3ccc4cc(C5(O)CC(F)(F)C5)sc4n3)cnc2n1
InChIInChI=1S/C18H14F2N4OS/c1-10-6-24-7-12(5-21-16(24)22-10)13-3-2-11-4-14(26-15(11)23-13)17(25)8-18(19,20)9-17/h2-7,25H,8-9H2,1H3
InChIKeyTVOBTBQIVYQZFV-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.93
Rot. Bonds2

About 3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol

3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol (PubChem CID 172542329) has the molecular formula C18H14F2N4OS and a molecular weight of 372.40 g/mol. Its IUPAC name is 3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
PubChem CID172542329
Molecular FormulaC18H14F2N4OS
Molecular Weight372.40 g/mol
Exact Mass372.09
IUPAC Name3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
SMILESCc1cn2cc(-c3ccc4cc(C5(O)CC(F)(F)C5)sc4n3)cnc2n1
InChIInChI=1S/C18H14F2N4OS/c1-10-6-24-7-12(5-21-16(24)22-10)13-3-2-11-4-14(26-15(11)23-13)17(25)8-18(19,20)9-17/h2-7,25H,8-9H2,1H3
InChIKeyTVOBTBQIVYQZFV-UHFFFAOYSA-N
XLogP3.93
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol with MolForge

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Related Compounds

US10738057, Example 34
CID 138619380
[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
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
3-Pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole
CID 155560417
2-[5-(4-Aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 17965787
(4-Fluorophenyl)(6-methyl-4-(1-methyl-1H-imidazol-4-ylamino)thieno[2,3-d]pyrimidin-2-yl)methanol
CID 56928543
2-[5-[5-(3,4-Difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol
CID 58497177
2-[5-[5-[(5-Fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol
CID 58497210
2-[5-[5-(2,4-Difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol
CID 58497237
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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol?
The IUPAC name of 3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol (CID 172542329) is 3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol?
The canonical SMILES for 3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol is Cc1cn2cc(-c3ccc4cc(C5(O)CC(F)(F)C5)sc4n3)cnc2n1.
What is the InChIKey of 3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol?
The InChIKey is TVOBTBQIVYQZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4OS/c1-10-6-24-7-12(5-21-16(24)22-10)13-3-2-11-4-14(26-15(11)23-13)17(25)8-18(19,20)9-17/h2-7,25H,8-9H2,1H3.
What are the key properties of 3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol?
3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol has a molecular weight of 372.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 172542329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).