(3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one

C24H24F2N4O3S — CID 160561732

About (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one

(3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one (PubChem CID 160561732) has the molecular formula C24H24F2N4O3S and a molecular weight of 486.54 g/mol. Its IUPAC name is (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one.

Molecular Properties

• Compound Name: (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one
• PubChem CID: 160561732
• Molecular Formula: C24H24F2N4O3S
• Molecular Weight: 486.54 g/mol
• Exact Mass: 486.15
• IUPAC Name: (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one
• SMILES: Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)C[C@@](C)(CO)c3nnc(C)s3)c2c1
• InChI: InChI=1S/C24H24F2N4O3S/c1-13-8-19-22(20(32)10-24(4,12-31)23-28-27-15(3)34-23)14(2)29-30(19)21(9-13)33-11-16-17(25)6-5-7-18(16)26/h5-9,31H,10-12H2,1-4H3/t24-/m0/s1
• InChIKey: QZKBGBZYXZQVFX-DEOSSOPVSA-N
• XLogP: 4.49
• TPSA: 89.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.54
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one?

The IUPAC name of (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one (CID 160561732) is (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one.

What is the SMILES notation for (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one?

The canonical SMILES for (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one is Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)C[C@@](C)(CO)c3nnc(C)s3)c2c1.

What is the InChIKey of (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one?

The InChIKey is QZKBGBZYXZQVFX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24F2N4O3S/c1-13-8-19-22(20(32)10-24(4,12-31)23-28-27-15(3)34-23)14(2)29-30(19)21(9-13)33-11-16-17(25)6-5-7-18(16)26/h5-9,31H,10-12H2,1-4H3/t24-/m0/s1.

What are the key properties of (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one?

(3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one has a molecular weight of 486.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one is sourced from PubChem (CID 160561732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).