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

C26H28F2N4O5 — CID 118679585

IUPACtert-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
SMILESCc1cc(Oc2c(F)cc(COc3cc4n(c(=O)n3)CC(C)(C)N4C(=O)OC(C)(C)C)cc2F)ccn1
InChIInChI=1S/C26H28F2N4O5/c1-15-9-17(7-8-29-15)36-22-18(27)10-16(11-19(22)28)13-35-20-12-21-31(23(33)30-20)14-26(5,6)32(21)24(34)37-25(2,3)4/h7-12H,13-14H2,1-6H3
InChIKeyDPMXXCUKHAGHHM-UHFFFAOYSA-N
MW514.53 g/mol
LogP5.13
Rot. Bonds5

About 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

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 (PubChem CID 118679585) has the molecular formula C26H28F2N4O5 and a molecular weight of 514.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID118679585
Molecular FormulaC26H28F2N4O5
Molecular Weight514.53 g/mol
Exact Mass514.20
IUPAC Nametert-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
SMILESCc1cc(Oc2c(F)cc(COc3cc4n(c(=O)n3)CC(C)(C)N4C(=O)OC(C)(C)C)cc2F)ccn1
InChIInChI=1S/C26H28F2N4O5/c1-15-9-17(7-8-29-15)36-22-18(27)10-16(11-19(22)28)13-35-20-12-21-31(23(33)30-20)14-26(5,6)32(21)24(34)37-25(2,3)4/h7-12H,13-14H2,1-6H3
InChIKeyDPMXXCUKHAGHHM-UHFFFAOYSA-N
XLogP5.13
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.53
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate
CID 86728374
(E)-4-[[(2R)-7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carbonyl]oxymethoxy]-4-oxobut-2-enoic acid
CID 118679136
(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
11-[[3,5-difluoro-4-[[2-(1,3,3-trifluorocyclobutyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 176747884
(9R,12S)-4-[[3,5-difluoro-4-(1-methylpyrazol-4-yl)oxyphenyl]methoxy]-9,12-dimethyl-11-oxa-1,5,7-triazatricyclo[7.4.0.02,7]trideca-2,4-dien-6-one
CID 174039871
6-[[3-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-11-(2-hydroxypropan-2-yl)-3,5,9-triazatetracyclo[9.1.1.01,9.03,8]trideca-5,7-dien-4-one
CID 156704492
6-[[3,5-difluoro-4-[3-(trifluoromethoxy)phenoxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one
CID 169006823

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Oc2c(F)cc(COc3cc4n(c(=O)n3)CC(C)(C)N4C(=O)OC(C)(C)C)cc2F)ccn1.
What is the InChIKey of 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?
The InChIKey is DPMXXCUKHAGHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O5/c1-15-9-17(7-8-29-15)36-22-18(27)10-16(11-19(22)28)13-35-20-12-21-31(23(33)30-20)14-26(5,6)32(21)24(34)37-25(2,3)4/h7-12H,13-14H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 514.53 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118679585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).