7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one

C20H18F2N4O3 — CID 145003519

IUPAC7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESCc1cc(Oc2c(F)cc(COc3cc4n(c(=O)n3)CCN4C)cc2F)ccn1
InChIInChI=1S/C20H18F2N4O3/c1-12-7-14(3-4-23-12)29-19-15(21)8-13(9-16(19)22)11-28-17-10-18-25(2)5-6-26(18)20(27)24-17/h3-4,7-10H,5-6,11H2,1-2H3
InChIKeySQLSVNSSBHYHIT-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.05
Rot. Bonds5

About 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one

7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one (PubChem CID 145003519) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
PubChem CID145003519
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESCc1cc(Oc2c(F)cc(COc3cc4n(c(=O)n3)CCN4C)cc2F)ccn1
InChIInChI=1S/C20H18F2N4O3/c1-12-7-14(3-4-23-12)29-19-15(21)8-13(9-16(19)22)11-28-17-10-18-25(2)5-6-26(18)20(27)24-17/h3-4,7-10H,5-6,11H2,1-2H3
InChIKeySQLSVNSSBHYHIT-UHFFFAOYSA-N
XLogP3.05
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one with MolForge

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Related Compounds

3-fluoro-5-[(1-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)oxymethyl]-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
CID 118685759
3-fluoro-2-[(2-methyl-4-pyridinyl)oxy]-5-[(1,2,2-trimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidin-7-yl)oxymethyl]benzonitrile
CID 118679552
tert-butyl 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate
CID 118679585
tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate
CID 118685761
7-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 71240969
(2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 90304105
3-fluoro-5-[[(2S)-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-yl]oxymethyl]-2-[(2-methyl-4-pyridinyl)oxy]benzonitrile
CID 118679562
7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 89399515
(2R)-8-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 77105028
2-(4-cyano-3-fluorophenoxy)-5-[(1-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)oxymethyl]benzonitrile
CID 71495314
3-[2-fluoro-4-[(1-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)oxymethyl]phenoxy]benzonitrile
CID 71243770
8-[[4-(3,5-difluorophenoxy)-3-fluorophenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 71236587

Frequently Asked Questions

What is the IUPAC name of 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one (CID 145003519) is 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one is Cc1cc(Oc2c(F)cc(COc3cc4n(c(=O)n3)CCN4C)cc2F)ccn1.
What is the InChIKey of 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is SQLSVNSSBHYHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-12-7-14(3-4-23-12)29-19-15(21)8-13(9-16(19)22)11-28-17-10-18-25(2)5-6-26(18)20(27)24-17/h3-4,7-10H,5-6,11H2,1-2H3.
What are the key properties of 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 400.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 145003519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).