3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one

C23H18Cl2F2N4O3S — CID 168985014

About 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one

3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one (PubChem CID 168985014) has the molecular formula C23H18Cl2F2N4O3S and a molecular weight of 539.39 g/mol. Its IUPAC name is 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

• Compound Name: 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
• PubChem CID: 168985014
• Molecular Formula: C23H18Cl2F2N4O3S
• Molecular Weight: 539.39 g/mol
• Exact Mass: 538.04
• IUPAC Name: 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
• SMILES: Cc1cc(OCc2ncc(F)cc2F)c(Cl)c(=O)n1-c1cc(-c2csc(C(C)(C)O)n2)ncc1Cl
• InChI: InChI=1S/C23H18Cl2F2N4O3S/c1-11-4-19(34-9-16-14(27)5-12(26)7-28-16)20(25)21(32)31(11)18-6-15(29-8-13(18)24)17-10-35-22(30-17)23(2,3)33/h4-8,10,33H,9H2,1-3H3
• InChIKey: QCWZMQFFZADYDE-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 90.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.39
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?

The IUPAC name of 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one (CID 168985014) is 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one.

What is the SMILES notation for 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?

The canonical SMILES for 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one is Cc1cc(OCc2ncc(F)cc2F)c(Cl)c(=O)n1-c1cc(-c2csc(C(C)(C)O)n2)ncc1Cl.

What is the InChIKey of 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?

The InChIKey is QCWZMQFFZADYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2F2N4O3S/c1-11-4-19(34-9-16-14(27)5-12(26)7-28-16)20(25)21(32)31(11)18-6-15(29-8-13(18)24)17-10-35-22(30-17)23(2,3)33/h4-8,10,33H,9H2,1-3H3.

What are the key properties of 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?

3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 539.39 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 168985014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).