4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide

C55H50F3N13O8S — CID 157402200

About 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide

4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide (PubChem CID 157402200) has the molecular formula C55H50F3N13O8S and a molecular weight of 1110.15 g/mol. Its IUPAC name is 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide
• PubChem CID: 157402200
• Molecular Formula: C55H50F3N13O8S
• Molecular Weight: 1110.15 g/mol
• Exact Mass: 1109.36
• IUPAC Name: 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide
• SMILES: CC(=O)Nc1cnc2c(c1)c(-c1cccc(-c3ccc(C(=O)N(C)C)cc3)c1)nn2C.CC(=O)Nc1cnc2c(c1)c(-c1cccc(O)c1)nn2C.CC(=O)Nc1cnc2c(c1)c(-c1cccc(OS(=O)(=O)C(F)(F)F)c1)nn2C
• InChI: InChI=1S/C24H23N5O2.C16H13F3N4O4S.C15H14N4O2/c1-15(30)26-20-13-21-22(27-29(4)23(21)25-14-20)19-7-5-6-18(12-19)16-8-10-17(11-9-16)24(31)28(2)3;1-9(24)21-11-7-13-14(22-23(2)15(13)20-8-11)10-4-3-5-12(6-10)27-28(25,26)16(17,18)19;1-9(20)17-11-7-13-14(10-4-3-5-12(21)6-10)18-19(2)15(13)16-8-11/h5-14H,1-4H3,(H,26,30);3-8H,1-2H3,(H,21,24);3-8,21H,1-2H3,(H,17,20)
• InChIKey: BNHNEQAKYSCBPZ-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 263.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1110.15
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide?

The IUPAC name of 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide (CID 157402200) is 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide.

What is the SMILES notation for 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide?

The canonical SMILES for 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide is CC(=O)Nc1cnc2c(c1)c(-c1cccc(-c3ccc(C(=O)N(C)C)cc3)c1)nn2C.CC(=O)Nc1cnc2c(c1)c(-c1cccc(O)c1)nn2C.CC(=O)Nc1cnc2c(c1)c(-c1cccc(OS(=O)(=O)C(F)(F)F)c1)nn2C.

What is the InChIKey of 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide?

The InChIKey is BNHNEQAKYSCBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2.C16H13F3N4O4S.C15H14N4O2/c1-15(30)26-20-13-21-22(27-29(4)23(21)25-14-20)19-7-5-6-18(12-19)16-8-10-17(11-9-16)24(31)28(2)3;1-9(24)21-11-7-13-14(22-23(2)15(13)20-8-11)10-4-3-5-12(6-10)27-28(25,26)16(17,18)19;1-9(20)17-11-7-13-14(10-4-3-5-12(21)6-10)18-19(2)15(13)16-8-11/h5-14H,1-4H3,(H,26,30);3-8H,1-2H3,(H,21,24);3-8,21H,1-2H3,(H,17,20).

What are the key properties of 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide?

4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide has a molecular weight of 1110.15 g/mol, XLogP of 9.08, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-N,N-dimethylbenzamide;[3-(5-acetamido-1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl] trifluoromethanesulfonate;N-[3-(3-hydroxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]acetamide is sourced from PubChem (CID 157402200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).