[2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol

C18H12F2N2OS — CID 68640908

IUPAC[2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol
SMILESOCc1c(F)ccc(-c2ccc3nc(-c4ccsc4)cn3c2)c1F
InChIInChI=1S/C18H12F2N2OS/c19-15-3-2-13(18(20)14(15)9-23)11-1-4-17-21-16(8-22(17)7-11)12-5-6-24-10-12/h1-8,10,23H,9H2
InChIKeyZQFXFQJMCDPYAK-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.50
Rot. Bonds3

About [2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol

[2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol (PubChem CID 68640908) has the molecular formula C18H12F2N2OS and a molecular weight of 342.37 g/mol. Its IUPAC name is [2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol
PubChem CID68640908
Molecular FormulaC18H12F2N2OS
Molecular Weight342.37 g/mol
Exact Mass342.06
IUPAC Name[2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol
SMILESOCc1c(F)ccc(-c2ccc3nc(-c4ccsc4)cn3c2)c1F
InChIInChI=1S/C18H12F2N2OS/c19-15-3-2-13(18(20)14(15)9-23)11-1-4-17-21-16(8-22(17)7-11)12-5-6-24-10-12/h1-8,10,23H,9H2
InChIKeyZQFXFQJMCDPYAK-UHFFFAOYSA-N
XLogP4.50
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093438
(3-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093439
(4-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093440
2-(3-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)ethan-1-ol
CID 25093441
4-[(5-Thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol
CID 11347373
3-(4-Fluorophenyl)-7-thiophen-2-ylimidazo[1,2-a]pyridine
CID 118733891
3-Benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 137644228
3-[6-(2-Thienyl)imidazo [1,2-a]pyrazin-3-yl]phenol
CID 117769781
[3-[3-(2-Thienyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126673064
4-[3-(3-Thienyl)imidazo [1,2-a]pyrazin-6-yl]phenol
CID 126673302
US9670204, 107 (2-(2-((2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)thiazol-4-yl)-5-fluorophenyl)methanol
CID 90420885
US10738057, Example 34
CID 138619380

Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol?
The IUPAC name of [2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol (CID 68640908) is [2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol.
What is the SMILES notation for [2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol?
The canonical SMILES for [2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol is OCc1c(F)ccc(-c2ccc3nc(-c4ccsc4)cn3c2)c1F.
What is the InChIKey of [2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol?
The InChIKey is ZQFXFQJMCDPYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2OS/c19-15-3-2-13(18(20)14(15)9-23)11-1-4-17-21-16(8-22(17)7-11)12-5-6-24-10-12/h1-8,10,23H,9H2.
What are the key properties of [2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol?
[2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol has a molecular weight of 342.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol is sourced from PubChem (CID 68640908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).