4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide

C98H80F7N17O8 — CID 167703908

About 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide

4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 167703908) has the molecular formula C98H80F7N17O8 and a molecular weight of 1756.81 g/mol. Its IUPAC name is 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 167703908
• Molecular Formula: C98H80F7N17O8
• Molecular Weight: 1756.81 g/mol
• Exact Mass: 1755.63
• IUPAC Name: 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
• SMILES: CCOc1cc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cccc(C(F)(F)F)c1.CN(Cc1ccc(F)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1.COc1cc(C(=O)N(C)Cc2cc(C#N)cc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1
• InChI: InChI=1S/C25H21F2N3O2.C25H18FN5O2.C24H21F3N4O2.C24H20FN5O2/c1-30(14-17-6-10-22(27)21-13-28-29-24(17)21)25(31)16-5-9-20(15-3-2-4-18(26)11-15)23(12-16)32-19-7-8-19;1-31(14-20-7-15(11-27)6-19-13-29-30-24(19)20)25(32)17-3-4-22(23(10-17)33-2)18-5-16(12-28)8-21(26)9-18;1-3-33-21-10-16(7-8-20(21)15-5-4-6-19(9-15)24(25,26)27)23(32)31(2)14-18-12-28-11-17-13-29-30-22(17)18;1-3-32-22-10-16(7-8-19(22)15-5-4-6-18(25)9-15)24(31)30(2)14-17-12-27-21(11-26)20-13-28-29-23(17)20/h2-6,9-13,19H,7-8,14H2,1H3,(H,28,29);3-10,13H,14H2,1-2H3,(H,29,30);4-13H,3,14H2,1-2H3,(H,29,30);4-10,12-13H,3,14H2,1-2H3,(H,28,29)
• InChIKey: YUSZNCJEEVQMSL-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 330.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1756.81
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide (CID 167703908) is 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide is CCOc1cc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cccc(C(F)(F)F)c1.CN(Cc1ccc(F)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1.COc1cc(C(=O)N(C)Cc2cc(C#N)cc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1.

What is the InChIKey of 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?

The InChIKey is YUSZNCJEEVQMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O2.C25H18FN5O2.C24H21F3N4O2.C24H20FN5O2/c1-30(14-17-6-10-22(27)21-13-28-29-24(17)21)25(31)16-5-9-20(15-3-2-4-18(26)11-15)23(12-16)32-19-7-8-19;1-31(14-20-7-15(11-27)6-19-13-29-30-24(19)20)25(32)17-3-4-22(23(10-17)33-2)18-5-16(12-28)8-21(26)9-18;1-3-33-21-10-16(7-8-20(21)15-5-4-6-19(9-15)24(25,26)27)23(32)31(2)14-18-12-28-11-17-13-29-30-22(17)18;1-3-32-22-10-16(7-8-19(22)15-5-4-6-18(25)9-15)24(31)30(2)14-17-12-27-21(11-26)20-13-28-29-23(17)20/h2-6,9-13,19H,7-8,14H2,1H3,(H,28,29);3-10,13H,14H2,1-2H3,(H,29,30);4-13H,3,14H2,1-2H3,(H,29,30);4-10,12-13H,3,14H2,1-2H3,(H,28,29).

What are the key properties of 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?

4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1756.81 g/mol, XLogP of 19.34, 23 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 167703908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).