5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one

C131H123F16N15O11 — CID 167563786

About 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one

5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one (PubChem CID 167563786) has the molecular formula C131H123F16N15O11 and a molecular weight of 2387.49 g/mol. Its IUPAC name is 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one
• PubChem CID: 167563786
• Molecular Formula: C131H123F16N15O11
• Molecular Weight: 2387.49 g/mol
• Exact Mass: 2385.93
• IUPAC Name: 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)C1.C=CC(=O)N1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.C=CC(=O)N1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.C=CC(=O)O.Fc1nn(C2CCCCO2)c2ccc(/C(=C(\CC(F)(F)F)c3ccccc3)c3ccc(OC4CCCCC4)nc3)cc12
• InChI: InChI=1S/C35H34F4N4O3.C33H33F4N3O2.2C30H26F4N4O2.C3H4O2/c1-2-31(44)42-17-8-11-26(22-42)46-30-16-14-25(21-40-30)33(28(20-35(37,38)39)23-9-4-3-5-10-23)24-13-15-29-27(19-24)34(36)41-43(29)32-12-6-7-18-45-32;34-32-26-19-23(14-16-28(26)40(39-32)30-13-7-8-18-41-30)31(27(20-33(35,36)37)22-9-3-1-4-10-22)24-15-17-29(38-21-24)42-25-11-5-2-6-12-25;2*1-2-27(39)38-14-6-9-22(18-38)40-26-13-11-21(17-35-26)28(20-10-12-25-23(15-20)29(31)37-36-25)24(16-30(32,33)34)19-7-4-3-5-8-19;1-2-3(4)5/h2-5,9-10,13-16,19,21,26,32H,1,6-8,11-12,17-18,20,22H2;1,3-4,9-10,14-17,19,21,25,30H,2,5-8,11-13,18,20H2;2*2-5,7-8,10-13,15,17,22H,1,6,9,14,16,18H2,(H,36,37);2H,1H2,(H,4,5)/b33-28-;31-27-;2*28-24-;/t26-,32?;;2*22-;/m1.11./s1
• InChIKey: DZZIASWOGVKFSM-APCFQXGGSA-N
• XLogP: 30.01
• TPSA: 298.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2387.49
LogP ≤ 5	30.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one?

The IUPAC name of 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one (CID 167563786) is 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)C1.C=CC(=O)N1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.C=CC(=O)N1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.C=CC(=O)O.Fc1nn(C2CCCCO2)c2ccc(/C(=C(\CC(F)(F)F)c3ccccc3)c3ccc(OC4CCCCC4)nc3)cc12.

What is the InChIKey of 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one?

The InChIKey is DZZIASWOGVKFSM-APCFQXGGSA-N. The full InChI is InChI=1S/C35H34F4N4O3.C33H33F4N3O2.2C30H26F4N4O2.C3H4O2/c1-2-31(44)42-17-8-11-26(22-42)46-30-16-14-25(21-40-30)33(28(20-35(37,38)39)23-9-4-3-5-10-23)24-13-15-29-27(19-24)34(36)41-43(29)32-12-6-7-18-45-32;34-32-26-19-23(14-16-28(26)40(39-32)30-13-7-8-18-41-30)31(27(20-33(35,36)37)22-9-3-1-4-10-22)24-15-17-29(38-21-24)42-25-11-5-2-6-12-25;2*1-2-27(39)38-14-6-9-22(18-38)40-26-13-11-21(17-35-26)28(20-10-12-25-23(15-20)29(31)37-36-25)24(16-30(32,33)34)19-7-4-3-5-8-19;1-2-3(4)5/h2-5,9-10,13-16,19,21,26,32H,1,6-8,11-12,17-18,20,22H2;1,3-4,9-10,14-17,19,21,25,30H,2,5-8,11-13,18,20H2;2*2-5,7-8,10-13,15,17,22H,1,6,9,14,16,18H2,(H,36,37);2H,1H2,(H,4,5)/b33-28-;31-27-;2*28-24-;/t26-,32?;;2*22-;/m1.11./s1.

What are the key properties of 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one?

5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 2387.49 g/mol, XLogP of 30.01, 30 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;prop-2-enoic acid;bis(1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 167563786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).