2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol

C23H21F3N4O2 — CID 118235831

IUPAC2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1nc2cc(F)c(-c3cnc(C(C)(C)O)cn3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C23H21F3N4O2/c1-13-18(8-14-6-4-5-7-19(14)32-22(25)26)30-12-15(16(24)9-21(30)29-13)17-10-28-20(11-27-17)23(2,3)31/h4-7,9-12,22,31H,8H2,1-3H3
InChIKeyLITZJCDZZPVJTJ-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.66
Rot. Bonds6

About 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol

2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol (PubChem CID 118235831) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol
PubChem CID118235831
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1nc2cc(F)c(-c3cnc(C(C)(C)O)cn3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C23H21F3N4O2/c1-13-18(8-14-6-4-5-7-19(14)32-22(25)26)30-12-15(16(24)9-21(30)29-13)17-10-28-20(11-27-17)23(2,3)31/h4-7,9-12,22,31H,8H2,1-3H3
InChIKeyLITZJCDZZPVJTJ-UHFFFAOYSA-N
XLogP4.66
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol?
The IUPAC name of 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) is 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol is Cc1nc2cc(F)c(-c3cnc(C(C)(C)O)cn3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol?
The InChIKey is LITZJCDZZPVJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-13-18(8-14-6-4-5-7-19(14)32-22(25)26)30-12-15(16(24)9-21(30)29-13)17-10-28-20(11-27-17)23(2,3)31/h4-7,9-12,22,31H,8H2,1-3H3.
What are the key properties of 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol?
2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol has a molecular weight of 442.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 118235831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).