[3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol

C21H15ClF2N2O — CID 67265087

IUPAC[3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
SMILESCc1cc(-c2cn3cc(-c4ccc(F)c(CO)c4F)ccc3n2)ccc1Cl
InChIInChI=1S/C21H15ClF2N2O/c1-12-8-13(2-5-17(12)22)19-10-26-9-14(3-7-20(26)25-19)15-4-6-18(23)16(11-27)21(15)24/h2-10,27H,11H2,1H3
InChIKeyHCAAAYIHDXNKDX-UHFFFAOYSA-N
MW384.81 g/mol
LogP5.40
Rot. Bonds3

About [3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol

[3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol (PubChem CID 67265087) has the molecular formula C21H15ClF2N2O and a molecular weight of 384.81 g/mol. Its IUPAC name is [3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol.

Molecular Properties

Compound Name[3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
PubChem CID67265087
Molecular FormulaC21H15ClF2N2O
Molecular Weight384.81 g/mol
Exact Mass384.08
IUPAC Name[3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
SMILESCc1cc(-c2cn3cc(-c4ccc(F)c(CO)c4F)ccc3n2)ccc1Cl
InChIInChI=1S/C21H15ClF2N2O/c1-12-8-13(2-5-17(12)22)19-10-26-9-14(3-7-20(26)25-19)15-4-6-18(23)16(11-27)21(15)24/h2-10,27H,11H2,1H3
InChIKeyHCAAAYIHDXNKDX-UHFFFAOYSA-N
XLogP5.40
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.81
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The IUPAC name of [3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol (CID 67265087) is [3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol.
What is the SMILES notation for [3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The canonical SMILES for [3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol is Cc1cc(-c2cn3cc(-c4ccc(F)c(CO)c4F)ccc3n2)ccc1Cl.
What is the InChIKey of [3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The InChIKey is HCAAAYIHDXNKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O/c1-12-8-13(2-5-17(12)22)19-10-26-9-14(3-7-20(26)25-19)15-4-6-18(23)16(11-27)21(15)24/h2-10,27H,11H2,1H3.
What are the key properties of [3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
[3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol has a molecular weight of 384.81 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol is sourced from PubChem (CID 67265087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).