3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one

C54H48Cl2F6N8O6 — CID 167673476

IUPAC3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2cccc(C(F)(F)F)c2)c(Cl)c1=O.[2H]C([2H])(Oc1cc(C)n(-c2cc(-c3ccnc(C(C)(C)O)n3)ncc2C)c(=O)c1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C27H24ClF3N4O3/c2*1-15-13-33-20(19-8-9-32-25(34-19)26(3,4)37)12-21(15)35-16(2)10-22(23(28)24(35)36)38-14-17-6-5-7-18(11-17)27(29,30)31/h2*5-13,37H,14H2,1-4H3/i14D2;
InChIKeyULWAZOMZMPYPDZ-RLTHWHRKSA-N
MW1091.93 g/mol
LogP11.57
Rot. Bonds12

About 3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one

3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one (PubChem CID 167673476) has the molecular formula C54H48Cl2F6N8O6 and a molecular weight of 1091.93 g/mol. Its IUPAC name is 3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
PubChem CID167673476
Molecular FormulaC54H48Cl2F6N8O6
Molecular Weight1091.93 g/mol
Exact Mass1090.31
IUPAC Name3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2cccc(C(F)(F)F)c2)c(Cl)c1=O.[2H]C([2H])(Oc1cc(C)n(-c2cc(-c3ccnc(C(C)(C)O)n3)ncc2C)c(=O)c1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C27H24ClF3N4O3/c2*1-15-13-33-20(19-8-9-32-25(34-19)26(3,4)37)12-21(15)35-16(2)10-22(23(28)24(35)36)38-14-17-6-5-7-18(11-17)27(29,30)31/h2*5-13,37H,14H2,1-4H3/i14D2;
InChIKeyULWAZOMZMPYPDZ-RLTHWHRKSA-N
XLogP11.57
TPSA180.26 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001091.93
LogP ≤ 511.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one with MolForge

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Related Compounds

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US11680056, Example 4A
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US11680056, Example 22A
CID 165398396
US11680056, Example 5A
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US11680056, Example 6A
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US11680056, Example 15
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US11680056, Example 31A
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US11680056, Example 10
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
The IUPAC name of 3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one (CID 167673476) is 3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
The canonical SMILES for 3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one is Cc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2cccc(C(F)(F)F)c2)c(Cl)c1=O.[2H]C([2H])(Oc1cc(C)n(-c2cc(-c3ccnc(C(C)(C)O)n3)ncc2C)c(=O)c1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
The InChIKey is ULWAZOMZMPYPDZ-RLTHWHRKSA-N. The full InChI is InChI=1S/2C27H24ClF3N4O3/c2*1-15-13-33-20(19-8-9-32-25(34-19)26(3,4)37)12-21(15)35-16(2)10-22(23(28)24(35)36)38-14-17-6-5-7-18(11-17)27(29,30)31/h2*5-13,37H,14H2,1-4H3/i14D2;.
What are the key properties of 3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one has a molecular weight of 1091.93 g/mol, XLogP of 11.57, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[dideuterio-[3-(trifluoromethyl)phenyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-one is sourced from PubChem (CID 167673476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).