7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide

C188H205F5N20O12 — CID 160864932

About 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide

7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide (PubChem CID 160864932) has the molecular formula C188H205F5N20O12 and a molecular weight of 3031.83 g/mol. Its IUPAC name is 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide.

Molecular Properties

• Compound Name: 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide
• PubChem CID: 160864932
• Molecular Formula: C188H205F5N20O12
• Molecular Weight: 3031.83 g/mol
• Exact Mass: 3029.60
• IUPAC Name: 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide
• SMILES: CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)NC)nc1)c1ccc2n[nH]c(F)c2c1)c1ccccc1.CC/C(=C(/c1ccc(OCCCCCCC(=O)N(C)C)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CC/C(=C(/c1ccc(OCCCCCCC(=O)N(C)C)cc1)c1ccc2n[nH]c(F)c2c1)c1ccccc1.CC/C(=C(/c1ccc(OCCCCCCC(=O)N(C)C)nc1)c1ccc2n[nH]c(F)c2c1)c1ccccc1.CC/C(=C(/c1ccccc1)c1ccc2c(c1)C(F)=NC2)c1ccc(OCCCC/C=C/C(=O)NC)nc1.CCC(=O)/C=C/CCCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1
• InChI: InChI=1S/C32H36FN3O2.C32H34FN3O2.C32H37N3O2.C31H35FN4O2.C31H32FN3O2.C30H31FN4O2/c1-4-27(23-12-8-7-9-13-23)31(25-17-20-29-28(22-25)32(33)35-34-29)24-15-18-26(19-16-24)38-21-11-6-5-10-14-30(37)36(2)3;1-3-26(37)15-11-6-5-7-12-20-38-30-19-17-25(22-34-30)31(27(4-2)23-13-9-8-10-14-23)24-16-18-29-28(21-24)32(33)36-35-29;1-4-29(24-12-8-7-9-13-24)32(26-17-20-30-27(22-26)23-33-34-30)25-15-18-28(19-16-25)37-21-11-6-5-10-14-31(36)35(2)3;1-4-25(22-12-8-7-9-13-22)30(23-15-17-27-26(20-23)31(32)35-34-27)24-16-18-28(33-21-24)38-19-11-6-5-10-14-29(37)36(2)3;1-3-26(24-16-17-29(34-20-24)37-18-10-5-4-9-13-28(36)33-2)30(22-11-7-6-8-12-22)23-14-15-25-21-35-31(32)27(25)19-23;1-3-24(21-11-7-6-8-12-21)29(22-14-16-26-25(19-22)30(31)35-34-26)23-15-17-28(33-20-23)37-18-10-5-4-9-13-27(36)32-2/h7-9,12-13,15-20,22H,4-6,10-11,14,21H2,1-3H3,(H,34,35);8-11,13-19,21-22H,3-7,12,20H2,1-2H3,(H,35,36);7-9,12-13,15-20,22-23H,4-6,10-11,14,21H2,1-3H3,(H,33,34);7-9,12-13,15-18,20-21H,4-6,10-11,14,19H2,1-3H3,(H,34,35);6-9,11-17,19-20H,3-5,10,18,21H2,1-2H3,(H,33,36);6-9,11-17,19-20H,3-5,10,18H2,1-2H3,(H,32,36)(H,34,35)/b31-27+;15-11+,31-27-;32-29+;30-25-;13-9+,30-26+;13-9+,29-24-
• InChIKey: SKZFAYFBMROONF-FHWBDIMQSA-N
• XLogP: 42.51
• TPSA: 398.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 71
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3031.83
LogP ≤ 5	42.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide?

The IUPAC name of 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide (CID 160864932) is 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide.

What is the SMILES notation for 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide?

The canonical SMILES for 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide is CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)NC)nc1)c1ccc2n[nH]c(F)c2c1)c1ccccc1.CC/C(=C(/c1ccc(OCCCCCCC(=O)N(C)C)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CC/C(=C(/c1ccc(OCCCCCCC(=O)N(C)C)cc1)c1ccc2n[nH]c(F)c2c1)c1ccccc1.CC/C(=C(/c1ccc(OCCCCCCC(=O)N(C)C)nc1)c1ccc2n[nH]c(F)c2c1)c1ccccc1.CC/C(=C(/c1ccccc1)c1ccc2c(c1)C(F)=NC2)c1ccc(OCCCC/C=C/C(=O)NC)nc1.CCC(=O)/C=C/CCCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.

What is the InChIKey of 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide?

The InChIKey is SKZFAYFBMROONF-FHWBDIMQSA-N. The full InChI is InChI=1S/C32H36FN3O2.C32H34FN3O2.C32H37N3O2.C31H35FN4O2.C31H32FN3O2.C30H31FN4O2/c1-4-27(23-12-8-7-9-13-23)31(25-17-20-29-28(22-25)32(33)35-34-29)24-15-18-26(19-16-24)38-21-11-6-5-10-14-30(37)36(2)3;1-3-26(37)15-11-6-5-7-12-20-38-30-19-17-25(22-34-30)31(27(4-2)23-13-9-8-10-14-23)24-16-18-29-28(21-24)32(33)36-35-29;1-4-29(24-12-8-7-9-13-24)32(26-17-20-30-27(22-26)23-33-34-30)25-15-18-28(19-16-25)37-21-11-6-5-10-14-31(36)35(2)3;1-4-25(22-12-8-7-9-13-22)30(23-15-17-27-26(20-23)31(32)35-34-27)24-16-18-28(33-21-24)38-19-11-6-5-10-14-29(37)36(2)3;1-3-26(24-16-17-29(34-20-24)37-18-10-5-4-9-13-28(36)33-2)30(22-11-7-6-8-12-22)23-14-15-25-21-35-31(32)27(25)19-23;1-3-24(21-11-7-6-8-12-21)29(22-14-16-26-25(19-22)30(31)35-34-26)23-15-17-28(33-20-23)37-18-10-5-4-9-13-27(36)32-2/h7-9,12-13,15-20,22H,4-6,10-11,14,21H2,1-3H3,(H,34,35);8-11,13-19,21-22H,3-7,12,20H2,1-2H3,(H,35,36);7-9,12-13,15-20,22-23H,4-6,10-11,14,21H2,1-3H3,(H,33,34);7-9,12-13,15-18,20-21H,4-6,10-11,14,19H2,1-3H3,(H,34,35);6-9,11-17,19-20H,3-5,10,18,21H2,1-2H3,(H,33,36);6-9,11-17,19-20H,3-5,10,18H2,1-2H3,(H,32,36)(H,34,35)/b31-27+;15-11+,31-27-;32-29+;30-25-;13-9+,30-26+;13-9+,29-24-.

What are the key properties of 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide?

7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide has a molecular weight of 3031.83 g/mol, XLogP of 42.51, 71 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide is sourced from PubChem (CID 160864932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).