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

C23H20ClF2N5O3S — CID 165398344

About 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

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 (PubChem CID 165398344) has the molecular formula C23H20ClF2N5O3S and a molecular weight of 519.96 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 165398344
• Molecular Formula: C23H20ClF2N5O3S
• Molecular Weight: 519.96 g/mol
• Exact Mass: 519.09
• IUPAC Name: 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
• SMILES: Cc1sc(-c2ccnc(C(C)(C)O)n2)nc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
• InChI: InChI=1S/C23H20ClF2N5O3S/c1-11-7-17(34-10-16-14(26)8-13(25)9-28-16)18(24)21(32)31(11)19-12(2)35-20(30-19)15-5-6-27-22(29-15)23(3,4)33/h5-9,33H,10H2,1-4H3
• InChIKey: HVHCYGCMHMUGGS-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 103.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.96
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1sc(-c2ccnc(C(C)(C)O)n2)nc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.

What is the InChIKey of 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?

The InChIKey is HVHCYGCMHMUGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N5O3S/c1-11-7-17(34-10-16-14(26)8-13(25)9-28-16)18(24)21(32)31(11)19-12(2)35-20(30-19)15-5-6-27-22(29-15)23(3,4)33/h5-9,33H,10H2,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 519.96 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 165398344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).