3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

C59H56F4N10O4S2 — CID 167561026

About 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 167561026) has the molecular formula C59H56F4N10O4S2 and a molecular weight of 1109.29 g/mol. Its IUPAC name is 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
• PubChem CID: 167561026
• Molecular Formula: C59H56F4N10O4S2
• Molecular Weight: 1109.29 g/mol
• Exact Mass: 1108.39
• IUPAC Name: 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
• SMILES: CN1CCC(n2cc(-c3ccc4c(-c5cc(CS(C)(=O)=O)cc(-c6ccc(F)cc6F)c5)cnn4c3)cn2)CC1.CS(=O)(=O)Cc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1
• InChI: InChI=1S/C30H29F2N5O2S.C29H27F2N5O2S/c1-35-9-7-26(8-10-35)36-18-24(15-33-36)21-3-6-30-28(16-34-37(30)17-21)23-12-20(19-40(2,38)39)11-22(13-23)27-5-4-25(31)14-29(27)32;1-39(37,38)18-19-10-21(26-4-3-24(30)13-28(26)31)12-22(11-19)27-15-34-36-16-20(2-5-29(27)36)23-14-33-35(17-23)25-6-8-32-9-7-25/h3-6,11-18,26H,7-10,19H2,1-2H3;2-5,10-17,25,32H,6-9,18H2,1H3
• InChIKey: DQUGSGBJLGNKOP-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 153.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1109.29
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?

The IUPAC name of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 167561026) is 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

What is the SMILES notation for 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?

The canonical SMILES for 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is CN1CCC(n2cc(-c3ccc4c(-c5cc(CS(C)(=O)=O)cc(-c6ccc(F)cc6F)c5)cnn4c3)cn2)CC1.CS(=O)(=O)Cc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1.

What is the InChIKey of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?

The InChIKey is DQUGSGBJLGNKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N5O2S.C29H27F2N5O2S/c1-35-9-7-26(8-10-35)36-18-24(15-33-36)21-3-6-30-28(16-34-37(30)17-21)23-12-20(19-40(2,38)39)11-22(13-23)27-5-4-25(31)14-29(27)32;1-39(37,38)18-19-10-21(26-4-3-24(30)13-28(26)31)12-22(11-19)27-15-34-36-16-20(2-5-29(27)36)23-14-33-35(17-23)25-6-8-32-9-7-25/h3-6,11-18,26H,7-10,19H2,1-2H3;2-5,10-17,25,32H,6-9,18H2,1H3.

What are the key properties of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?

3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 1109.29 g/mol, XLogP of 10.90, 12 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 167561026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).