3-chloro-1-[2-[2-(1,1-difluoro-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one

C26H22ClF4N5O2 — CID 165398482

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

3-chloro-1-[2-[2-(1,1-difluoro-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one (PubChem CID 165398482) has the molecular formula C26H22ClF4N5O2 and a molecular weight of 547.94 g/mol. Its IUPAC name is 3-chloro-1-[2-[2-(1,1-difluoro-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

• Compound Name: 3-chloro-1-[2-[2-(1,1-difluoro-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
• PubChem CID: 165398482
• Molecular Formula: C26H22ClF4N5O2
• Molecular Weight: 547.94 g/mol
• Exact Mass: 547.14
• IUPAC Name: 3-chloro-1-[2-[2-(1,1-difluoro-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
• SMILES: Cc1cnc(-c2ccnc(C(C)(C)C(F)F)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
• InChI: InChI=1S/C26H22ClF4N5O2/c1-13-10-33-18(17-5-6-32-25(35-17)26(3,4)24(30)31)9-20(13)36-14(2)7-21(22(27)23(36)37)38-12-19-16(29)8-15(28)11-34-19/h5-11,24H,12H2,1-4H3
• InChIKey: UAQDZASLBUJLTN-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 82.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.94
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-chloro-1-[2-[2-(1,1-difluoro-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one (CID 165398482) is 3-chloro-1-[2-[2-(1,1-difluoro-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one.

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

The canonical SMILES for 3-chloro-1-[2-[2-(1,1-difluoro-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one is Cc1cnc(-c2ccnc(C(C)(C)C(F)F)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.

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

The InChIKey is UAQDZASLBUJLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF4N5O2/c1-13-10-33-18(17-5-6-32-25(35-17)26(3,4)24(30)31)9-20(13)36-14(2)7-21(22(27)23(36)37)38-12-19-16(29)8-15(28)11-34-19/h5-11,24H,12H2,1-4H3.

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

3-chloro-1-[2-[2-(1,1-difluoro-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 547.94 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-1-[2-[2-(1,1-difluoro-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 165398482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).