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

C75H66Cl3F6N15O9 — CID 167567401

IUPAC3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.[2H]C([2H])(Oc1cc(C)n(-c2cc(-c3ccnc(C(C)(C)O)n3)ncc2C)c(=O)c1Cl)c1ncc(F)cc1F.[2H]C([2H])([2H])C(C)(O)c1nccc(-c2cc(-n3c(C)cc(OCc4ncc(F)cc4F)c(Cl)c3=O)c(C)cn2)n1
InChIInChI=1S/3C25H22ClF2N5O3/c3*1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h3*5-11,35H,12H2,1-4H3/i12D2;3D3;
InChIKeyFLQDBSHBOJOLOK-AFNSVGPYSA-N
MW1546.83 g/mol
LogP13.32
Rot. Bonds19

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

3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one (PubChem CID 167567401) has the molecular formula C75H66Cl3F6N15O9 and a molecular weight of 1546.83 g/mol. Its IUPAC name is 3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one
PubChem CID167567401
Molecular FormulaC75H66Cl3F6N15O9
Molecular Weight1546.83 g/mol
Exact Mass1544.45
IUPAC Name3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.[2H]C([2H])(Oc1cc(C)n(-c2cc(-c3ccnc(C(C)(C)O)n3)ncc2C)c(=O)c1Cl)c1ncc(F)cc1F.[2H]C([2H])([2H])C(C)(O)c1nccc(-c2cc(-n3c(C)cc(OCc4ncc(F)cc4F)c(Cl)c3=O)c(C)cn2)n1
InChIInChI=1S/3C25H22ClF2N5O3/c3*1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h3*5-11,35H,12H2,1-4H3/i12D2;3D3;
InChIKeyFLQDBSHBOJOLOK-AFNSVGPYSA-N
XLogP13.32
TPSA309.06 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001546.83
LogP ≤ 513.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one?
The IUPAC name of 3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one (CID 167567401) is 3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one?
The canonical SMILES for 3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one is Cc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.[2H]C([2H])(Oc1cc(C)n(-c2cc(-c3ccnc(C(C)(C)O)n3)ncc2C)c(=O)c1Cl)c1ncc(F)cc1F.[2H]C([2H])([2H])C(C)(O)c1nccc(-c2cc(-n3c(C)cc(OCc4ncc(F)cc4F)c(Cl)c3=O)c(C)cn2)n1.
What is the InChIKey of 3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one?
The InChIKey is FLQDBSHBOJOLOK-AFNSVGPYSA-N. The full InChI is InChI=1S/3C25H22ClF2N5O3/c3*1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h3*5-11,35H,12H2,1-4H3/i12D2;3D3;.
What are the key properties of 3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one?
3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one has a molecular weight of 1546.83 g/mol, XLogP of 13.32, 19 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[dideuterio-(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one;3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1,1,1-trideuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 167567401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).