[3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol

C18H11ClF2N2OS — CID 68640382

IUPAC[3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
SMILESOCc1c(F)ccc(-c2ccc3nc(-c4ccc(Cl)s4)cn3c2)c1F
InChIInChI=1S/C18H11ClF2N2OS/c19-16-5-4-15(25-16)14-8-23-7-10(1-6-17(23)22-14)11-2-3-13(20)12(9-24)18(11)21/h1-8,24H,9H2
InChIKeyLNZRPIREVZKYIK-UHFFFAOYSA-N
MW376.82 g/mol
LogP5.15
Rot. Bonds3

About [3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol

[3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol (PubChem CID 68640382) has the molecular formula C18H11ClF2N2OS and a molecular weight of 376.82 g/mol. Its IUPAC name is [3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol.

Molecular Properties

Compound Name[3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
PubChem CID68640382
Molecular FormulaC18H11ClF2N2OS
Molecular Weight376.82 g/mol
Exact Mass376.02
IUPAC Name[3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
SMILESOCc1c(F)ccc(-c2ccc3nc(-c4ccc(Cl)s4)cn3c2)c1F
InChIInChI=1S/C18H11ClF2N2OS/c19-16-5-4-15(25-16)14-8-23-7-10(1-6-17(23)22-14)11-2-3-13(20)12(9-24)18(11)21/h1-8,24H,9H2
InChIKeyLNZRPIREVZKYIK-UHFFFAOYSA-N
XLogP5.15
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The IUPAC name of [3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol (CID 68640382) is [3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol.
What is the SMILES notation for [3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The canonical SMILES for [3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol is OCc1c(F)ccc(-c2ccc3nc(-c4ccc(Cl)s4)cn3c2)c1F.
What is the InChIKey of [3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The InChIKey is LNZRPIREVZKYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2OS/c19-16-5-4-15(25-16)14-8-23-7-10(1-6-17(23)22-14)11-2-3-13(20)12(9-24)18(11)21/h1-8,24H,9H2.
What are the key properties of [3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
[3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol has a molecular weight of 376.82 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol is sourced from PubChem (CID 68640382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).