N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide

C94H89F2N13O14 — CID 158055591

About N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide

N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide (PubChem CID 158055591) has the molecular formula C94H89F2N13O14 and a molecular weight of 1662.82 g/mol. Its IUPAC name is N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide
• PubChem CID: 158055591
• Molecular Formula: C94H89F2N13O14
• Molecular Weight: 1662.82 g/mol
• Exact Mass: 1661.66
• IUPAC Name: N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide
• SMILES: COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC4CC4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccccc4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccnc4)c(OC)c23)cc1OC.O=C1CCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)C1
• InChI: InChI=1S/C26H25N3O4.C25H24N4O4.C22H23N3O4.C21H17F2N3O2/c1-31-22-14-10-17(15-23(22)32-2)9-12-20-24-21(29-28-20)13-11-19(25(24)33-3)26(30)27-16-18-7-5-4-6-8-18;1-31-21-11-7-16(13-22(21)32-2)6-9-19-23-20(29-28-19)10-8-18(24(23)33-3)25(30)27-15-17-5-4-12-26-14-17;1-27-18-11-5-13(12-19(18)28-2)4-9-16-20-17(25-24-16)10-8-15(21(20)29-3)22(26)23-14-6-7-14;22-14-5-1-12(2-6-14)3-8-18-16-10-20(17(23)11-19(16)26-25-18)24-21(28)13-4-7-15(27)9-13/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29);4-14H,15H2,1-3H3,(H,27,30)(H,28,29);4-5,8-12,14H,6-7H2,1-3H3,(H,23,26)(H,24,25);1-3,5-6,8,10-11,13H,4,7,9H2,(H,24,28)(H,25,26)/b12-9+;9-6+;9-4+;8-3+
• InChIKey: FJZXHJCASUAOMP-QKBYAXFVSA-N
• XLogP: 16.74
• TPSA: 344.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1662.82
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide?

The IUPAC name of N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide (CID 158055591) is N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide.

What is the SMILES notation for N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide?

The canonical SMILES for N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide is COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC4CC4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccccc4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccnc4)c(OC)c23)cc1OC.O=C1CCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)C1.

What is the InChIKey of N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide?

The InChIKey is FJZXHJCASUAOMP-QKBYAXFVSA-N. The full InChI is InChI=1S/C26H25N3O4.C25H24N4O4.C22H23N3O4.C21H17F2N3O2/c1-31-22-14-10-17(15-23(22)32-2)9-12-20-24-21(29-28-20)13-11-19(25(24)33-3)26(30)27-16-18-7-5-4-6-8-18;1-31-21-11-7-16(13-22(21)32-2)6-9-19-23-20(29-28-19)10-8-18(24(23)33-3)25(30)27-15-17-5-4-12-26-14-17;1-27-18-11-5-13(12-19(18)28-2)4-9-16-20-17(25-24-16)10-8-15(21(20)29-3)22(26)23-14-6-7-14;22-14-5-1-12(2-6-14)3-8-18-16-10-20(17(23)11-19(16)26-25-18)24-21(28)13-4-7-15(27)9-13/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29);4-14H,15H2,1-3H3,(H,27,30)(H,28,29);4-5,8-12,14H,6-7H2,1-3H3,(H,23,26)(H,24,25);1-3,5-6,8,10-11,13H,4,7,9H2,(H,24,28)(H,25,26)/b12-9+;9-6+;9-4+;8-3+.

What are the key properties of N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide?

N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide has a molecular weight of 1662.82 g/mol, XLogP of 16.74, 27 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 158055591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).