7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one

C21H19F5N4O3 — CID 140797883

IUPAC7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one
SMILESCC1(C)CN2C(=O)NC(OCc3cc(F)c(Oc4ccnc(C(F)(F)F)c4)c(F)c3)C=C2N1
InChIInChI=1S/C21H19F5N4O3/c1-20(2)10-30-16(29-20)8-17(28-19(30)31)32-9-11-5-13(22)18(14(23)6-11)33-12-3-4-27-15(7-12)21(24,25)26/h3-8,17,29H,9-10H2,1-2H3,(H,28,31)
InChIKeyZBPKNEKDMYSCPX-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.26
Rot. Bonds5

About 7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one

7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one (PubChem CID 140797883) has the molecular formula C21H19F5N4O3 and a molecular weight of 470.40 g/mol. Its IUPAC name is 7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one
PubChem CID140797883
Molecular FormulaC21H19F5N4O3
Molecular Weight470.40 g/mol
Exact Mass470.14
IUPAC Name7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one
SMILESCC1(C)CN2C(=O)NC(OCc3cc(F)c(Oc4ccnc(C(F)(F)F)c4)c(F)c3)C=C2N1
InChIInChI=1S/C21H19F5N4O3/c1-20(2)10-30-16(29-20)8-17(28-19(30)31)32-9-11-5-13(22)18(14(23)6-11)33-12-3-4-27-15(7-12)21(24,25)26/h3-8,17,29H,9-10H2,1-2H3,(H,28,31)
InChIKeyZBPKNEKDMYSCPX-UHFFFAOYSA-N
XLogP4.26
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one with MolForge

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Related Compounds

3-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-7,8,8-trimethyl-5,6,7,9-tetrahydropyrimido[1,6-a]azepin-1-one
CID 123657518
4-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-1,5,7-triazatetracyclo[7.5.0.02,7.012,14]tetradeca-2,4-dien-6-one
CID 176747845
(4R,6S)-4-amino-11-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,8-diazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 139313240
4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine
CID 167343978
(1R,11S)-6-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-7-methoxy-12-oxa-3,5,9-triazatetracyclo[9.2.1.01,9.03,8]tetradeca-5,7-dien-4-one
CID 167344090
(2S)-7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-13-oxa-4,6,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-6,8-dien-5-one
CID 176747920
(1R,11S)-6-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-7-ethyl-12-oxa-3,5,9-triazatetracyclo[9.2.1.01,9.03,8]tetradeca-5,7-dien-4-one
CID 167344142
(9R)-4-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-11-oxa-1,5,7-triazatricyclo[7.4.0.02,7]trideca-2,4-dien-6-one
CID 118686246
[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol
CID 138720637
CID 174039838
CID 174039838
(3R)-12-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-5-oxa-1,8,13-triazatricyclo[8.4.0.03,8]tetradeca-10,12-dien-14-one
CID 176550176
(9S)-4-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-11-oxa-1,5,7-triazatricyclo[7.5.0.02,7]tetradeca-2,4-dien-6-one
CID 176747844

Frequently Asked Questions

What is the IUPAC name of 7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one (CID 140797883) is 7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one is CC1(C)CN2C(=O)NC(OCc3cc(F)c(Oc4ccnc(C(F)(F)F)c4)c(F)c3)C=C2N1.
What is the InChIKey of 7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is ZBPKNEKDMYSCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N4O3/c1-20(2)10-30-16(29-20)8-17(28-19(30)31)32-9-11-5-13(22)18(14(23)6-11)33-12-3-4-27-15(7-12)21(24,25)26/h3-8,17,29H,9-10H2,1-2H3,(H,28,31).
What are the key properties of 7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one?
7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 470.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 140797883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).