N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

C110H90F10N16O10S — CID 158074777

About N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 158074777) has the molecular formula C110H90F10N16O10S and a molecular weight of 2018.08 g/mol. Its IUPAC name is N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
• PubChem CID: 158074777
• Molecular Formula: C110H90F10N16O10S
• Molecular Weight: 2018.08 g/mol
• Exact Mass: 2016.66
• IUPAC Name: N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
• SMILES: COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCc2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12
• InChI: InChI=1S/C24H19F2N3O2.C23H18F2N4O2.C22H17F2N3O2S.C21H19F2N3O2.C20H17F2N3O2/c1-31-23-18(24(30)27-14-15-5-3-2-4-6-15)10-12-21-22(23)20(28-29-21)11-8-16-7-9-17(25)13-19(16)26;1-31-22-17(23(30)27-13-14-3-2-10-26-12-14)7-9-20-21(22)19(28-29-20)8-5-15-4-6-16(24)11-18(15)25;1-29-21-16(22(28)25-12-15-3-2-10-30-15)7-9-19-20(21)18(26-27-19)8-5-13-4-6-14(23)11-17(13)24;1-28-20-15(21(27)24-11-12-2-3-12)7-9-18-19(20)17(25-26-18)8-5-13-4-6-14(22)10-16(13)23;1-27-19-14(20(26)23-13-5-6-13)7-9-17-18(19)16(24-25-17)8-3-11-2-4-12(21)10-15(11)22/h2-13H,14H2,1H3,(H,27,30)(H,28,29);2-12H,13H2,1H3,(H,27,30)(H,28,29);2-11H,12H2,1H3,(H,25,28)(H,26,27);4-10,12H,2-3,11H2,1H3,(H,24,27)(H,25,26);2-4,7-10,13H,5-6H2,1H3,(H,23,26)(H,24,25)/b11-8+;3*8-5+;8-3+
• InChIKey: FMFVZANEXFFGJC-PSRJKDSRSA-N
• XLogP: 22.38
• TPSA: 347.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 29
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2018.08
LogP ≤ 5	22.38
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

The IUPAC name of N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (CID 158074777) is N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

What is the SMILES notation for N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

The canonical SMILES for N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCc2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.

What is the InChIKey of N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

The InChIKey is FMFVZANEXFFGJC-PSRJKDSRSA-N. The full InChI is InChI=1S/C24H19F2N3O2.C23H18F2N4O2.C22H17F2N3O2S.C21H19F2N3O2.C20H17F2N3O2/c1-31-23-18(24(30)27-14-15-5-3-2-4-6-15)10-12-21-22(23)20(28-29-21)11-8-16-7-9-17(25)13-19(16)26;1-31-22-17(23(30)27-13-14-3-2-10-26-12-14)7-9-20-21(22)19(28-29-20)8-5-15-4-6-16(24)11-18(15)25;1-29-21-16(22(28)25-12-15-3-2-10-30-15)7-9-19-20(21)18(26-27-19)8-5-13-4-6-14(23)11-17(13)24;1-28-20-15(21(27)24-11-12-2-3-12)7-9-18-19(20)17(25-26-18)8-5-13-4-6-14(22)10-16(13)23;1-27-19-14(20(26)23-13-5-6-13)7-9-17-18(19)16(24-25-17)8-3-11-2-4-12(21)10-15(11)22/h2-13H,14H2,1H3,(H,27,30)(H,28,29);2-12H,13H2,1H3,(H,27,30)(H,28,29);2-11H,12H2,1H3,(H,25,28)(H,26,27);4-10,12H,2-3,11H2,1H3,(H,24,27)(H,25,26);2-4,7-10,13H,5-6H2,1H3,(H,23,26)(H,24,25)/b11-8+;3*8-5+;8-3+.

What are the key properties of N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 2018.08 g/mol, XLogP of 22.38, 29 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 158074777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).