3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide

C89H80F5N19O9 — CID 167580192

About 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide

3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide (PubChem CID 167580192) has the molecular formula C89H80F5N19O9 and a molecular weight of 1654.73 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
• PubChem CID: 167580192
• Molecular Formula: C89H80F5N19O9
• Molecular Weight: 1654.73 g/mol
• Exact Mass: 1653.63
• IUPAC Name: 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
• SMILES: CCOc1nc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1ccccc1.CCOc1nn(-c2cccc(F)c2)nc1C(=O)N(C)Cc1cccc2cn[nH]c12.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2COC2)c1.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OCC(F)F)c1
• InChI: InChI=1S/C24H21FN4O3.C23H19F3N4O2.C22H21N5O2.C20H19FN6O2/c1-29(12-18-10-26-9-17-11-27-28-23(17)18)24(30)16-5-6-21(15-3-2-4-19(25)7-15)22(8-16)32-20-13-31-14-20;1-30(12-17-10-27-9-16-11-28-29-22(16)17)23(31)15-5-6-19(14-3-2-4-18(24)7-14)20(8-15)32-13-21(25)26;1-3-29-21-18(15-7-5-4-6-8-15)9-10-19(25-21)22(28)27(2)14-17-12-23-11-16-13-24-26-20(16)17;1-3-29-19-18(24-27(25-19)16-9-5-8-15(21)10-16)20(28)26(2)12-14-7-4-6-13-11-22-23-17(13)14/h2-11,20H,12-14H2,1H3,(H,27,28);2-11,21H,12-13H2,1H3,(H,28,29);4-13H,3,14H2,1-2H3,(H,24,26);4-11H,3,12H2,1-2H3,(H,22,23)
• InChIKey: HBTCMXDEUFEWPQ-UHFFFAOYSA-N
• XLogP: 15.14
• TPSA: 324.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1654.73
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide (CID 167580192) is 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide.

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

The canonical SMILES for 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide is CCOc1nc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1ccccc1.CCOc1nn(-c2cccc(F)c2)nc1C(=O)N(C)Cc1cccc2cn[nH]c12.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2COC2)c1.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OCC(F)F)c1.

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

The InChIKey is HBTCMXDEUFEWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3.C23H19F3N4O2.C22H21N5O2.C20H19FN6O2/c1-29(12-18-10-26-9-17-11-27-28-23(17)18)24(30)16-5-6-21(15-3-2-4-19(25)7-15)22(8-16)32-20-13-31-14-20;1-30(12-17-10-27-9-16-11-28-29-22(16)17)23(31)15-5-6-19(14-3-2-4-18(24)7-14)20(8-15)32-13-21(25)26;1-3-29-21-18(15-7-5-4-6-8-15)9-10-19(25-21)22(28)27(2)14-17-12-23-11-16-13-24-26-20(16)17;1-3-29-19-18(24-27(25-19)16-9-5-8-15(21)10-16)20(28)26(2)12-14-7-4-6-13-11-22-23-17(13)14/h2-11,20H,12-14H2,1H3,(H,27,28);2-11,21H,12-13H2,1H3,(H,28,29);4-13H,3,14H2,1-2H3,(H,24,26);4-11H,3,12H2,1-2H3,(H,22,23).

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

3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide has a molecular weight of 1654.73 g/mol, XLogP of 15.14, 25 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide is sourced from PubChem (CID 167580192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).