6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine

C20H15BrF2N4O — CID 118235828

IUPAC6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2ccc(-c3ncc(Br)cn3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C20H15BrF2N4O/c1-12-16(8-13-4-2-3-5-17(13)28-20(22)23)27-11-14(6-7-18(27)26-12)19-24-9-15(21)10-25-19/h2-7,9-11,20H,8H2,1H3
InChIKeyAEUCSGSSOGIJOA-UHFFFAOYSA-N
MW445.27 g/mol
LogP5.05
Rot. Bonds5

About 6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine

6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine (PubChem CID 118235828) has the molecular formula C20H15BrF2N4O and a molecular weight of 445.27 g/mol. Its IUPAC name is 6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine
PubChem CID118235828
Molecular FormulaC20H15BrF2N4O
Molecular Weight445.27 g/mol
Exact Mass444.04
IUPAC Name6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2ccc(-c3ncc(Br)cn3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C20H15BrF2N4O/c1-12-16(8-13-4-2-3-5-17(13)28-20(22)23)27-11-14(6-7-18(27)26-12)19-24-9-15(21)10-25-19/h2-7,9-11,20H,8H2,1H3
InChIKeyAEUCSGSSOGIJOA-UHFFFAOYSA-N
XLogP5.05
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.27
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine?
The IUPAC name of 6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine (CID 118235828) is 6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine is Cc1nc2ccc(-c3ncc(Br)cn3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine?
The InChIKey is AEUCSGSSOGIJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF2N4O/c1-12-16(8-13-4-2-3-5-17(13)28-20(22)23)27-11-14(6-7-18(27)26-12)19-24-9-15(21)10-25-19/h2-7,9-11,20H,8H2,1H3.
What are the key properties of 6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine?
6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine has a molecular weight of 445.27 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 118235828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).