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

C25H23ClF2N4O3S — CID 168985042

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

3-chloro-4-[1-(3,5-difluoro-2-pyridinyl)ethoxy]-1-[2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (PubChem CID 168985042) has the molecular formula C25H23ClF2N4O3S and a molecular weight of 533.00 g/mol. Its IUPAC name is 3-chloro-4-[1-(3,5-difluoro-2-pyridinyl)ethoxy]-1-[2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

Molecular Properties

• Compound Name: 3-chloro-4-[1-(3,5-difluoro-2-pyridinyl)ethoxy]-1-[2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
• PubChem CID: 168985042
• Molecular Formula: C25H23ClF2N4O3S
• Molecular Weight: 533.00 g/mol
• Exact Mass: 532.11
• IUPAC Name: 3-chloro-4-[1-(3,5-difluoro-2-pyridinyl)ethoxy]-1-[2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
• SMILES: Cc1cnc(-c2csc(C(C)(C)O)n2)cc1-n1c(C)cc(OC(C)c2ncc(F)cc2F)c(Cl)c1=O
• InChI: InChI=1S/C25H23ClF2N4O3S/c1-12-9-29-17(18-11-36-24(31-18)25(4,5)34)8-19(12)32-13(2)6-20(21(26)23(32)33)35-14(3)22-16(28)7-15(27)10-30-22/h6-11,14,34H,1-5H3
• InChIKey: PQDPAVJZWWBHQQ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 90.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.00
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-chloro-4-[1-(3,5-difluoro-2-pyridinyl)ethoxy]-1-[2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (CID 168985042) is 3-chloro-4-[1-(3,5-difluoro-2-pyridinyl)ethoxy]-1-[2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

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

The canonical SMILES for 3-chloro-4-[1-(3,5-difluoro-2-pyridinyl)ethoxy]-1-[2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is Cc1cnc(-c2csc(C(C)(C)O)n2)cc1-n1c(C)cc(OC(C)c2ncc(F)cc2F)c(Cl)c1=O.

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

The InChIKey is PQDPAVJZWWBHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N4O3S/c1-12-9-29-17(18-11-36-24(31-18)25(4,5)34)8-19(12)32-13(2)6-20(21(26)23(32)33)35-14(3)22-16(28)7-15(27)10-30-22/h6-11,14,34H,1-5H3.

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

3-chloro-4-[1-(3,5-difluoro-2-pyridinyl)ethoxy]-1-[2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one has a molecular weight of 533.00 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[1-(3,5-difluoro-2-pyridinyl)ethoxy]-1-[2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is sourced from PubChem (CID 168985042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).