3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one

C26H25ClN4O3 — CID 155599942

IUPAC3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one
SMILES[2H]C([2H])([2H])C(O)(c1nccc(-c2cc(-n3c(C)cc(OCc4ccccc4)c(Cl)c3=O)c(C)cn2)n1)C([2H])([2H])[2H]
InChIInChI=1S/C26H25ClN4O3/c1-16-14-29-20(19-10-11-28-25(30-19)26(3,4)33)13-21(16)31-17(2)12-22(23(27)24(31)32)34-15-18-8-6-5-7-9-18/h5-14,33H,15H2,1-4H3/i3D3,4D3
InChIKeyNZWQIDGUGKKMAE-LIJFRPJRSA-N
MW483.00 g/mol
LogP4.77
Rot. Bonds8

About 3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one

3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one (PubChem CID 155599942) has the molecular formula C26H25ClN4O3 and a molecular weight of 483.00 g/mol. Its IUPAC name is 3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one
PubChem CID155599942
Molecular FormulaC26H25ClN4O3
Molecular Weight483.00 g/mol
Exact Mass482.20
IUPAC Name3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one
SMILES[2H]C([2H])([2H])C(O)(c1nccc(-c2cc(-n3c(C)cc(OCc4ccccc4)c(Cl)c3=O)c(C)cn2)n1)C([2H])([2H])[2H]
InChIInChI=1S/C26H25ClN4O3/c1-16-14-29-20(19-10-11-28-25(30-19)26(3,4)33)13-21(16)31-17(2)12-22(23(27)24(31)32)34-15-18-8-6-5-7-9-18/h5-14,33H,15H2,1-4H3/i3D3,4D3
InChIKeyNZWQIDGUGKKMAE-LIJFRPJRSA-N
XLogP4.77
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.00
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one with MolForge

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Related Compounds

3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(4-methoxyphenyl)methoxy]-6-methylpyridin-2-one
CID 86699307
3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3-methoxyphenyl)methoxy]-6-methylpyridin-2-one;methanol
CID 155599898
3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one
CID 71768661
3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
CID 67778292
3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
CID 165398320
3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one
CID 67777971
3-bromo-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
CID 67777323
2-[3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]acetonitrile
CID 165398266
CID 174116965
CID 174116965
CID 169130910
CID 169130910
3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one
CID 57406177
4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one
CID 170227991

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one?
The IUPAC name of 3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one (CID 155599942) is 3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one is [2H]C([2H])([2H])C(O)(c1nccc(-c2cc(-n3c(C)cc(OCc4ccccc4)c(Cl)c3=O)c(C)cn2)n1)C([2H])([2H])[2H].
What is the InChIKey of 3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one?
The InChIKey is NZWQIDGUGKKMAE-LIJFRPJRSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-16-14-29-20(19-10-11-28-25(30-19)26(3,4)33)13-21(16)31-17(2)12-22(23(27)24(31)32)34-15-18-8-6-5-7-9-18/h5-14,33H,15H2,1-4H3/i3D3,4D3.
What are the key properties of 3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one?
3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one has a molecular weight of 483.00 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 155599942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).