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

C19H16F2N4OS — CID 172542315

IUPAC3-(difluoromethyl)-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(C(F)F)C5)sc4n3)cnc2n1
InChIInChI=1S/C19H16F2N4OS/c1-10-8-25-9-13(7-22-18(25)23-10)14-3-2-11-4-15(27-17(11)24-14)19(26)5-12(6-19)16(20)21/h2-4,7-9,12,16,26H,5-6H2,1H3
InChIKeyXMCJDYPYOCHYBS-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.18
Rot. Bonds3

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

3-(difluoromethyl)-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol (PubChem CID 172542315) has the molecular formula C19H16F2N4OS and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
PubChem CID172542315
Molecular FormulaC19H16F2N4OS
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name3-(difluoromethyl)-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(C(F)F)C5)sc4n3)cnc2n1
InChIInChI=1S/C19H16F2N4OS/c1-10-8-25-9-13(7-22-18(25)23-10)14-3-2-11-4-15(27-17(11)24-14)19(26)5-12(6-19)16(20)21/h2-4,7-9,12,16,26H,5-6H2,1H3
InChIKeyXMCJDYPYOCHYBS-UHFFFAOYSA-N
XLogP4.18
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10738057, Example 20
CID 138561598
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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-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-(difluoromethyl)-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol (CID 172542315) is 3-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-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(C(F)F)C5)sc4n3)cnc2n1.
What is the InChIKey of 3-(difluoromethyl)-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol?
The InChIKey is XMCJDYPYOCHYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4OS/c1-10-8-25-9-13(7-22-18(25)23-10)14-3-2-11-4-15(27-17(11)24-14)19(26)5-12(6-19)16(20)21/h2-4,7-9,12,16,26H,5-6H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol?
3-(difluoromethyl)-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 386.43 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-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 172542315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).