3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

C22H24BF3N2O3 — CID 140680531

IUPAC3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCc1nc2cc(F)c(B3OC(C)(C)C(C)(C)O3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H24BF3N2O3/c1-13-17(10-14-8-6-7-9-18(14)29-20(25)26)28-12-15(16(24)11-19(28)27-13)23-30-21(2,3)22(4,5)31-23/h6-9,11-12,20H,10H2,1-5H3
InChIKeyBVTCNITVCDUZOW-UHFFFAOYSA-N
MW432.25 g/mol
LogP4.27
Rot. Bonds5

About 3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 140680531) has the molecular formula C22H24BF3N2O3 and a molecular weight of 432.25 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
PubChem CID140680531
Molecular FormulaC22H24BF3N2O3
Molecular Weight432.25 g/mol
Exact Mass432.18
IUPAC Name3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCc1nc2cc(F)c(B3OC(C)(C)C(C)(C)O3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H24BF3N2O3/c1-13-17(10-14-8-6-7-9-18(14)29-20(25)26)28-12-15(16(24)11-19(28)27-13)23-30-21(2,3)22(4,5)31-23/h6-9,11-12,20H,10H2,1-5H3
InChIKeyBVTCNITVCDUZOW-UHFFFAOYSA-N
XLogP4.27
TPSA44.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.25
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol
CID 118235831
3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine
CID 118235766
6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine
CID 118235830
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid
CID 118235823
6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine
CID 118235828
tert-butyl 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-hydroxyazetidine-1-carboxylate
CID 131735247
(1S,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 118235874
3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid
CID 140680535
sodium 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-(hydroxymethyl)piperidine-4-carboxylate
CID 118235787
6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine
CID 91809190
potassium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylate
CID 140680534
5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid
CID 118235870

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 140680531) is 3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is Cc1nc2cc(F)c(B3OC(C)(C)C(C)(C)O3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is BVTCNITVCDUZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BF3N2O3/c1-13-17(10-14-8-6-7-9-18(14)29-20(25)26)28-12-15(16(24)11-19(28)27-13)23-30-21(2,3)22(4,5)31-23/h6-9,11-12,20H,10H2,1-5H3.
What are the key properties of 3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 432.25 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 140680531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).