2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine

C26H23F4N7O3 — CID 172585613

IUPAC2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine
SMILES[2H]C([2H])([2H])Oc1ncnc(C2CC2)c1-c1ncc(OC)c(OCc2cnc(-c3nc(C(F)(F)F)cn3C3CC3)c(F)c2)n1
InChIInChI=1S/C26H23F4N7O3/c1-38-17-9-32-22(19-20(14-3-4-14)33-12-34-25(19)39-2)36-24(17)40-11-13-7-16(27)21(31-8-13)23-35-18(26(28,29)30)10-37(23)15-5-6-15/h7-10,12,14-15H,3-6,11H2,1-2H3/i2D3
InChIKeyLGLJAAMUUGOSCR-BMSJAHLVSA-N
MW560.53 g/mol
LogP5.16
Rot. Bonds10

About 2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine

2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine (PubChem CID 172585613) has the molecular formula C26H23F4N7O3 and a molecular weight of 560.53 g/mol. Its IUPAC name is 2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine
PubChem CID172585613
Molecular FormulaC26H23F4N7O3
Molecular Weight560.53 g/mol
Exact Mass560.20
IUPAC Name2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine
SMILES[2H]C([2H])([2H])Oc1ncnc(C2CC2)c1-c1ncc(OC)c(OCc2cnc(-c3nc(C(F)(F)F)cn3C3CC3)c(F)c2)n1
InChIInChI=1S/C26H23F4N7O3/c1-38-17-9-32-22(19-20(14-3-4-14)33-12-34-25(19)39-2)36-24(17)40-11-13-7-16(27)21(31-8-13)23-35-18(26(28,29)30)10-37(23)15-5-6-15/h7-10,12,14-15H,3-6,11H2,1-2H3/i2D3
InChIKeyLGLJAAMUUGOSCR-BMSJAHLVSA-N
XLogP5.16
TPSA109.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.53
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine with MolForge

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Related Compounds

5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[6-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-2-methylpyrazolo[4,3-d]pyrimidine
CID 172584557
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[5-fluoro-6-(3-methylpent-2-en-2-yl)-3-pyridinyl]methoxy]-5-methoxypyrimidine
CID 172585474
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine
CID 172584283
5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine
CID 172586619
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(difluoromethoxy)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172586423
5-[4-[[6-[5-chloro-1-methyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine
CID 172585560
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidine
CID 172585643
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172586381
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine
CID 172586088
6-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 170707664
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 171760225
6-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pteridin-7-one
CID 170707343

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine?
The IUPAC name of 2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine (CID 172585613) is 2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine.
What is the SMILES notation for 2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine?
The canonical SMILES for 2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine is [2H]C([2H])([2H])Oc1ncnc(C2CC2)c1-c1ncc(OC)c(OCc2cnc(-c3nc(C(F)(F)F)cn3C3CC3)c(F)c2)n1.
What is the InChIKey of 2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine?
The InChIKey is LGLJAAMUUGOSCR-BMSJAHLVSA-N. The full InChI is InChI=1S/C26H23F4N7O3/c1-38-17-9-32-22(19-20(14-3-4-14)33-12-34-25(19)39-2)36-24(17)40-11-13-7-16(27)21(31-8-13)23-35-18(26(28,29)30)10-37(23)15-5-6-15/h7-10,12,14-15H,3-6,11H2,1-2H3/i2D3.
What are the key properties of 2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine?
2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine has a molecular weight of 560.53 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine is sourced from PubChem (CID 172585613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).