2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol

C21H19F3N4O — CID 122523296

IUPAC2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C21H19F3N4O/c1-21(2,29)16-9-25-18-8-5-14(10-28(16)18)20-19(13-3-6-15(22)7-4-13)26-12-27(20)11-17(23)24/h3-10,12,17,29H,11H2,1-2H3
InChIKeyBJMAYBFFVMEYJF-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.50
Rot. Bonds5

About 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol

2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol (PubChem CID 122523296) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
PubChem CID122523296
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C21H19F3N4O/c1-21(2,29)16-9-25-18-8-5-14(10-28(16)18)20-19(13-3-6-15(22)7-4-13)26-12-27(20)11-17(23)24/h3-10,12,17,29H,11H2,1-2H3
InChIKeyBJMAYBFFVMEYJF-UHFFFAOYSA-N
XLogP4.50
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol?
The IUPAC name of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol (CID 122523296) is 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol?
The canonical SMILES for 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol is CC(C)(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.
What is the InChIKey of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol?
The InChIKey is BJMAYBFFVMEYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c1-21(2,29)16-9-25-18-8-5-14(10-28(16)18)20-19(13-3-6-15(22)7-4-13)26-12-27(20)11-17(23)24/h3-10,12,17,29H,11H2,1-2H3.
What are the key properties of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol?
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol has a molecular weight of 400.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol is sourced from PubChem (CID 122523296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).