1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one

C24H24ClN5O2S — CID 57405162

IUPAC1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
SMILESCc1nc(COc2cc(C)n(-c3ccnc(-c4ccnc(C(C)(C)C)n4)c3)c(=O)c2Cl)cs1
InChIInChI=1S/C24H24ClN5O2S/c1-14-10-20(32-12-16-13-33-15(2)28-16)21(25)22(31)30(14)17-6-8-26-19(11-17)18-7-9-27-23(29-18)24(3,4)5/h6-11,13H,12H2,1-5H3
InChIKeyLMPSIBYMTVVGKL-UHFFFAOYSA-N
MW482.01 g/mol
LogP5.29
Rot. Bonds5

About 1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one

1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one (PubChem CID 57405162) has the molecular formula C24H24ClN5O2S and a molecular weight of 482.01 g/mol. Its IUPAC name is 1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
PubChem CID57405162
Molecular FormulaC24H24ClN5O2S
Molecular Weight482.01 g/mol
Exact Mass481.13
IUPAC Name1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
SMILESCc1nc(COc2cc(C)n(-c3ccnc(-c4ccnc(C(C)(C)C)n4)c3)c(=O)c2Cl)cs1
InChIInChI=1S/C24H24ClN5O2S/c1-14-10-20(32-12-16-13-33-15(2)28-16)21(25)22(31)30(14)17-6-8-26-19(11-17)18-7-9-27-23(29-18)24(3,4)5/h6-11,13H,12H2,1-5H3
InChIKeyLMPSIBYMTVVGKL-UHFFFAOYSA-N
XLogP5.29
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.01
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

US11680056, Example 33A
CID 165398233
5-Chloro-3-[5-[5-fluoro-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-methylphenyl]-2-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrimidin-4-one
CID 89598541
3-[3-[5-Fluoro-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]phenyl]-2,5-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrimidin-4-one
CID 89604393
5-Chloro-3-[3-[5-fluoro-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]phenyl]-2-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrimidin-4-one
CID 89604396
Ethyl 4-[4-[4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methyl-1,3-thiazol-2-yl]pyrimidine-2-carboxylate
CID 165398120
3-Chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]-6-methylpyridin-2-one
CID 165398344
Ethyl 4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,3-thiazol-2-yl]pyrimidine-2-carboxylate
CID 165398353
US20250051309, Example 1.19
CID 175681137
3-Bromo-1-[2-(2-tert-butylpyrimidin-4-yl)-5-methyl-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
CID 57404998
1-[2-(2-Tert-butylpyrimidin-4-yl)-5-methyl-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
CID 57405159
1-[2-(2-Tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
CID 57405160
1-[2-(2-Tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
CID 57405161

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
The IUPAC name of 1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one (CID 57405162) is 1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one is Cc1nc(COc2cc(C)n(-c3ccnc(-c4ccnc(C(C)(C)C)n4)c3)c(=O)c2Cl)cs1.
What is the InChIKey of 1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
The InChIKey is LMPSIBYMTVVGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2S/c1-14-10-20(32-12-16-13-33-15(2)28-16)21(25)22(31)30(14)17-6-8-26-19(11-17)18-7-9-27-23(29-18)24(3,4)5/h6-11,13H,12H2,1-5H3.
What are the key properties of 1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one has a molecular weight of 482.01 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one is sourced from PubChem (CID 57405162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).