2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol

C22H17ClF2N2O — CID 67265023

IUPAC2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol
SMILESCC(C)(O)c1c(F)ccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1F
InChIInChI=1S/C22H17ClF2N2O/c1-22(2,28)20-17(24)9-8-16(21(20)25)14-5-10-19-26-18(12-27(19)11-14)13-3-6-15(23)7-4-13/h3-12,28H,1-2H3
InChIKeyDIIUIWHAMAYJCT-UHFFFAOYSA-N
MW398.84 g/mol
LogP5.83
Rot. Bonds3

About 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol

2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol (PubChem CID 67265023) has the molecular formula C22H17ClF2N2O and a molecular weight of 398.84 g/mol. Its IUPAC name is 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol
PubChem CID67265023
Molecular FormulaC22H17ClF2N2O
Molecular Weight398.84 g/mol
Exact Mass398.10
IUPAC Name2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol
SMILESCC(C)(O)c1c(F)ccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1F
InChIInChI=1S/C22H17ClF2N2O/c1-22(2,28)20-17(24)9-8-16(21(20)25)14-5-10-19-26-18(12-27(19)11-14)13-3-6-15(23)7-4-13/h3-12,28H,1-2H3
InChIKeyDIIUIWHAMAYJCT-UHFFFAOYSA-N
XLogP5.83
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.84
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol?
The IUPAC name of 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol (CID 67265023) is 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol?
The canonical SMILES for 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol is CC(C)(O)c1c(F)ccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1F.
What is the InChIKey of 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol?
The InChIKey is DIIUIWHAMAYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O/c1-22(2,28)20-17(24)9-8-16(21(20)25)14-5-10-19-26-18(12-27(19)11-14)13-3-6-15(23)7-4-13/h3-12,28H,1-2H3.
What are the key properties of 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol?
2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol has a molecular weight of 398.84 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol is sourced from PubChem (CID 67265023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).