3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine

C101H90BBr3Cl8F4N18O9 — CID 162187888

About 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine

3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine (PubChem CID 162187888) has the molecular formula C101H90BBr3Cl8F4N18O9 and a molecular weight of 2310.09 g/mol. Its IUPAC name is 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine.

Molecular Properties

• Compound Name: 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine
• PubChem CID: 162187888
• Molecular Formula: C101H90BBr3Cl8F4N18O9
• Molecular Weight: 2310.09 g/mol
• Exact Mass: 2302.22
• IUPAC Name: 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine
• SMILES: CNc1ccc(/C(F)=C/c2[nH]nc3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cn1.CNc1ccc(/C(F)=C/c2nn(C3CCCCO3)c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cn1.C[C@@H](Oc1ccc2c(c1)c(/C=C(\F)c1ccc(Br)nc1)nn2C1CCCCO1)c1c(Cl)cncc1Cl.C[C@@H](Oc1ccc2c(c1)c(C=C(F)Br)nn2C1CCCCO1)c1c(Cl)cncc1Cl.OB(O)c1ccc(Br)nc1
• InChI: InChI=1S/C27H26Cl2FN5O2.C26H22BrCl2FN4O2.C22H18Cl2FN5O.C21H19BrCl2FN3O2.C5H5BBrNO2/c1-16(27-20(28)14-32-15-21(27)29)37-18-7-8-24-19(11-18)23(34-35(24)26-5-3-4-10-36-26)12-22(30)17-6-9-25(31-2)33-13-17;1-15(26-19(28)13-31-14-20(26)29)36-17-6-7-23-18(10-17)22(33-34(23)25-4-2-3-9-35-25)11-21(30)16-5-8-24(27)32-12-16;1-12(22-16(23)10-27-11-17(22)24)31-14-4-5-19-15(7-14)20(30-29-19)8-18(25)13-3-6-21(26-2)28-9-13;1-12(21-15(23)10-26-11-16(21)24)30-13-5-6-18-14(8-13)17(9-19(22)25)27-28(18)20-4-2-3-7-29-20;7-5-2-1-4(3-8-5)6(9)10/h6-9,11-16,26H,3-5,10H2,1-2H3,(H,31,33);5-8,10-15,25H,2-4,9H2,1H3;3-12H,1-2H3,(H,26,28)(H,29,30);5-6,8-12,20H,2-4,7H2,1H3;1-3,9-10H/b22-12-;21-11-;18-8-;;/t16-,26?;15-,25?;12-;12-,20?;/m1111./s1
• InChIKey: ZPXADLNJNWKLLW-HSPGGQJBSA-N
• XLogP: 28.76
• TPSA: 314.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2310.09
LogP ≤ 5	28.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine?

The IUPAC name of 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine (CID 162187888) is 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine.

What is the SMILES notation for 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine?

The canonical SMILES for 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine is CNc1ccc(/C(F)=C/c2[nH]nc3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cn1.CNc1ccc(/C(F)=C/c2nn(C3CCCCO3)c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cn1.C[C@@H](Oc1ccc2c(c1)c(/C=C(\F)c1ccc(Br)nc1)nn2C1CCCCO1)c1c(Cl)cncc1Cl.C[C@@H](Oc1ccc2c(c1)c(C=C(F)Br)nn2C1CCCCO1)c1c(Cl)cncc1Cl.OB(O)c1ccc(Br)nc1.

What is the InChIKey of 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine?

The InChIKey is ZPXADLNJNWKLLW-HSPGGQJBSA-N. The full InChI is InChI=1S/C27H26Cl2FN5O2.C26H22BrCl2FN4O2.C22H18Cl2FN5O.C21H19BrCl2FN3O2.C5H5BBrNO2/c1-16(27-20(28)14-32-15-21(27)29)37-18-7-8-24-19(11-18)23(34-35(24)26-5-3-4-10-36-26)12-22(30)17-6-9-25(31-2)33-13-17;1-15(26-19(28)13-31-14-20(26)29)36-17-6-7-23-18(10-17)22(33-34(23)25-4-2-3-9-35-25)11-21(30)16-5-8-24(27)32-12-16;1-12(22-16(23)10-27-11-17(22)24)31-14-4-5-19-15(7-14)20(30-29-19)8-18(25)13-3-6-21(26-2)28-9-13;1-12(21-15(23)10-26-11-16(21)24)30-13-5-6-18-14(8-13)17(9-19(22)25)27-28(18)20-4-2-3-7-29-20;7-5-2-1-4(3-8-5)6(9)10/h6-9,11-16,26H,3-5,10H2,1-2H3,(H,31,33);5-8,10-15,25H,2-4,9H2,1H3;3-12H,1-2H3,(H,26,28)(H,29,30);5-6,8-12,20H,2-4,7H2,1H3;1-3,9-10H/b22-12-;21-11-;18-8-;;/t16-,26?;15-,25?;12-;12-,20?;/m1111./s1.

What are the key properties of 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine?

3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine has a molecular weight of 2310.09 g/mol, XLogP of 28.76, 25 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-bromo-2-fluoroethenyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;(6-bromo-3-pyridinyl)boronic acid;3-[(Z)-2-(6-bromo-3-pyridinyl)-2-fluoroethenyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine;5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 162187888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).