(2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol

C12H10N4OS — CID 63835259

IUPAC(2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol
SMILESOCc1c(Sc2ccncn2)nc2ccccn12
InChIInChI=1S/C12H10N4OS/c17-7-9-12(18-11-4-5-13-8-14-11)15-10-3-1-2-6-16(9)10/h1-6,8,17H,7H2
InChIKeyIGNWBJRQHOCTOM-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.77
Rot. Bonds3

About (2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol

(2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol (PubChem CID 63835259) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is (2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol.

Molecular Properties

Compound Name(2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol
PubChem CID63835259
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name(2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol
SMILESOCc1c(Sc2ccncn2)nc2ccccn12
InChIInChI=1S/C12H10N4OS/c17-7-9-12(18-11-4-5-13-8-14-11)15-10-3-1-2-6-16(9)10/h1-6,8,17H,7H2
InChIKeyIGNWBJRQHOCTOM-UHFFFAOYSA-N
XLogP1.77
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 102926184
[2-(2-bromophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63813270
[2-(2-fluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63813667
(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methanol
CID 39132836
[2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63812601
3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63835596
N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine
CID 63806148
(2-cyclohexylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol
CID 63835845
[2-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 79333805
[2-(cyclopentylmethylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 63835629
[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 65041191
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971

Frequently Asked Questions

What is the IUPAC name of (2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol?
The IUPAC name of (2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol (CID 63835259) is (2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol.
What is the SMILES notation for (2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol?
The canonical SMILES for (2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol is OCc1c(Sc2ccncn2)nc2ccccn12.
What is the InChIKey of (2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol?
The InChIKey is IGNWBJRQHOCTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c17-7-9-12(18-11-4-5-13-8-14-11)15-10-3-1-2-6-16(9)10/h1-6,8,17H,7H2.
What are the key properties of (2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol?
(2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol has a molecular weight of 258.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol is sourced from PubChem (CID 63835259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).