4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide

C93H78F3N23O8 — CID 167592195

About 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide

4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide (PubChem CID 167592195) has the molecular formula C93H78F3N23O8 and a molecular weight of 1702.79 g/mol. Its IUPAC name is 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 167592195
• Molecular Formula: C93H78F3N23O8
• Molecular Weight: 1702.79 g/mol
• Exact Mass: 1701.64
• IUPAC Name: 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide
• SMILES: CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1.CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)cnc1-c1cc(F)cc(C#N)c1.CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)cnc1-c1cccc(C#N)c1.CCOc1nc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1
• InChI: InChI=1S/C24H20FN5O2.2C23H19FN6O2.C23H20N6O2/c1-3-32-22-9-16(4-5-21(22)17-6-15(10-26)7-20(25)8-17)24(31)30(2)14-19-12-27-11-18-13-28-29-23(18)19;1-3-32-20-7-16(11-27-22(20)15-4-14(8-25)5-19(24)6-15)23(31)30(2)13-18-10-26-9-17-12-28-29-21(17)18;1-3-32-22-19(15-6-14(9-25)7-18(24)8-15)4-5-20(28-22)23(31)30(2)13-17-11-26-10-16-12-27-29-21(16)17;1-3-31-20-8-17(12-26-22(20)16-6-4-5-15(7-16)9-24)23(30)29(2)14-19-11-25-10-18-13-27-28-21(18)19/h4-9,11-13H,3,14H2,1-2H3,(H,28,29);4-7,9-12H,3,13H2,1-2H3,(H,28,29);4-8,10-12H,3,13H2,1-2H3,(H,27,29);4-8,10-13H,3,14H2,1-2H3,(H,27,28)
• InChIKey: IOQDRRILZCOROB-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 418.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1702.79
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide (CID 167592195) is 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide is CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1.CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)cnc1-c1cc(F)cc(C#N)c1.CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)cnc1-c1cccc(C#N)c1.CCOc1nc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1.

What is the InChIKey of 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?

The InChIKey is IOQDRRILZCOROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2.2C23H19FN6O2.C23H20N6O2/c1-3-32-22-9-16(4-5-21(22)17-6-15(10-26)7-20(25)8-17)24(31)30(2)14-19-12-27-11-18-13-28-29-23(18)19;1-3-32-20-7-16(11-27-22(20)15-4-14(8-25)5-19(24)6-15)23(31)30(2)13-18-10-26-9-17-12-28-29-21(17)18;1-3-32-22-19(15-6-14(9-25)7-18(24)8-15)4-5-20(28-22)23(31)30(2)13-17-11-26-10-16-12-27-29-21(16)17;1-3-31-20-8-17(12-26-22(20)16-6-4-5-15(7-16)9-24)23(30)29(2)14-19-11-25-10-18-13-27-28-21(18)19/h4-9,11-13H,3,14H2,1-2H3,(H,28,29);4-7,9-12H,3,13H2,1-2H3,(H,28,29);4-8,10-12H,3,13H2,1-2H3,(H,27,29);4-8,10-13H,3,14H2,1-2H3,(H,27,28).

What are the key properties of 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?

4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide has a molecular weight of 1702.79 g/mol, XLogP of 15.27, 24 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide;6-(3-cyanophenyl)-5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167592195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).