4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine

C35H32F2N6O3S — CID 167607494

About 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine

4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine (PubChem CID 167607494) has the molecular formula C35H32F2N6O3S and a molecular weight of 654.74 g/mol. Its IUPAC name is 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine.

Molecular Properties

• Compound Name: 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine
• PubChem CID: 167607494
• Molecular Formula: C35H32F2N6O3S
• Molecular Weight: 654.74 g/mol
• Exact Mass: 654.22
• IUPAC Name: 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine
• SMILES: CS(=O)(=O)Cc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COCCN5Cc5ccccc5)c4)ccc23)c1
• InChI: InChI=1S/C35H32F2N6O3S/c1-47(44,45)23-25-11-27(13-28(12-25)35-33(37)14-30(36)16-38-35)32-17-40-43-20-26(7-8-34(32)43)29-15-39-42(19-29)21-31-22-46-10-9-41(31)18-24-5-3-2-4-6-24/h2-8,11-17,19-20,31H,9-10,18,21-23H2,1H3
• InChIKey: WWKOQXHWSXURKG-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 94.62 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.74
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine?

The IUPAC name of 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine (CID 167607494) is 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine.

What is the SMILES notation for 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine?

The canonical SMILES for 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine is CS(=O)(=O)Cc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COCCN5Cc5ccccc5)c4)ccc23)c1.

What is the InChIKey of 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine?

The InChIKey is WWKOQXHWSXURKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F2N6O3S/c1-47(44,45)23-25-11-27(13-28(12-25)35-33(37)14-30(36)16-38-35)32-17-40-43-20-26(7-8-34(32)43)29-15-39-42(19-29)21-31-22-46-10-9-41(31)18-24-5-3-2-4-6-24/h2-8,11-17,19-20,31H,9-10,18,21-23H2,1H3.

What are the key properties of 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine?

4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine has a molecular weight of 654.74 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine is sourced from PubChem (CID 167607494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).