N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide

C121H111F5N20O11S — CID 167638245

About N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide

N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide (PubChem CID 167638245) has the molecular formula C121H111F5N20O11S and a molecular weight of 2148.40 g/mol. Its IUPAC name is N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
• PubChem CID: 167638245
• Molecular Formula: C121H111F5N20O11S
• Molecular Weight: 2148.40 g/mol
• Exact Mass: 2146.84
• IUPAC Name: N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
• SMILES: CCOc1cc(C(=O)N(C)C(C)c2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cc(C#N)cs1.CCOc1cc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)ccc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cnc(CO)c3cn[nH]c23)ccc1-c1cccc(F)c1
• InChI: InChI=1S/C26H23FN4O2.C24H22F2N4O2.C24H23FN4O3.C24H23FN4O2.C23H20N4O2S/c1-4-33-24-13-18(8-11-22(24)17-6-5-7-20(27)12-17)26(32)31(3)16(2)21-10-9-19(14-28)23-15-29-30-25(21)23;1-3-32-22-10-16(7-8-19(22)15-5-4-6-18(26)9-15)24(31)30(2)14-17-12-27-21(11-25)20-13-28-29-23(17)20;1-3-32-22-10-16(7-8-19(22)15-5-4-6-18(25)9-15)24(31)29(2)13-17-11-26-21(14-30)20-12-27-28-23(17)20;1-3-31-22-11-17(9-10-19(22)16-7-5-4-6-8-16)24(30)29(2)15-18-13-26-21(12-25)20-14-27-28-23(18)20;1-3-29-20-10-16(7-8-19(20)21-9-15(11-24)14-30-21)23(28)27(2)13-18-6-4-5-17-12-25-26-22(17)18/h5-13,15-16H,4H2,1-3H3,(H,29,30);4-10,12-13H,3,11,14H2,1-2H3,(H,28,29);4-12,30H,3,13-14H2,1-2H3,(H,27,28);4-11,13-14H,3,12,15H2,1-2H3,(H,27,28);4-10,12,14H,3,13H2,1-2H3,(H,25,26)
• InChIKey: OUBLXYGJMDEBJM-UHFFFAOYSA-N
• XLogP: 23.90
• TPSA: 397.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 33
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.40
LogP ≤ 5	23.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

The IUPAC name of N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide (CID 167638245) is N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide.

What is the SMILES notation for N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

The canonical SMILES for N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide is CCOc1cc(C(=O)N(C)C(C)c2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cc(C#N)cs1.CCOc1cc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)ccc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cnc(CO)c3cn[nH]c23)ccc1-c1cccc(F)c1.

What is the InChIKey of N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

The InChIKey is OUBLXYGJMDEBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2.C24H22F2N4O2.C24H23FN4O3.C24H23FN4O2.C23H20N4O2S/c1-4-33-24-13-18(8-11-22(24)17-6-5-7-20(27)12-17)26(32)31(3)16(2)21-10-9-19(14-28)23-15-29-30-25(21)23;1-3-32-22-10-16(7-8-19(22)15-5-4-6-18(26)9-15)24(31)30(2)14-17-12-27-21(11-25)20-13-28-29-23(17)20;1-3-32-22-10-16(7-8-19(22)15-5-4-6-18(25)9-15)24(31)29(2)13-17-11-26-21(14-30)20-12-27-28-23(17)20;1-3-31-22-11-17(9-10-19(22)16-7-5-4-6-8-16)24(30)29(2)15-18-13-26-21(12-25)20-14-27-28-23(18)20;1-3-29-20-10-16(7-8-19(20)21-9-15(11-24)14-30-21)23(28)27(2)13-18-6-4-5-17-12-25-26-22(17)18/h5-13,15-16H,4H2,1-3H3,(H,29,30);4-10,12-13H,3,11,14H2,1-2H3,(H,28,29);4-12,30H,3,13-14H2,1-2H3,(H,27,28);4-11,13-14H,3,12,15H2,1-2H3,(H,27,28);4-10,12,14H,3,13H2,1-2H3,(H,25,26).

What are the key properties of N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide has a molecular weight of 2148.40 g/mol, XLogP of 23.90, 33 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 167638245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).