3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride

C128H133BBr2ClF10N17O9 — CID 157256224

About 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride

3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride (PubChem CID 157256224) has the molecular formula C128H133BBr2ClF10N17O9 and a molecular weight of 2449.63 g/mol. Its IUPAC name is 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride.

Molecular Properties

• Compound Name: 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride
• PubChem CID: 157256224
• Molecular Formula: C128H133BBr2ClF10N17O9
• Molecular Weight: 2449.63 g/mol
• Exact Mass: 2445.85
• IUPAC Name: 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride
• SMILES: C1=COCCC1.CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(-c5c(F)cccc5F)cc34)c2)CC1.CC(C)(C)OC(=O)NC1CCN(c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1.Cl.Fc1cccc(F)c1-c1ccc2c(c1)C(Br)=NC2.Fc1cccc(F)c1-c1ccc2c(c1)C=NC2.Fc1cccc(F)c1-c1ccc2c(c1)c(Br)nn2C1CCCCO1.NC1CCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)c2)CC1
• InChI: InChI=1S/C33H37F2N5O3.C23H21F2N5.C21H34BN3O4.C18H15BrF2N2O.C14H8BrF2N.C14H9F2N.C5H8O.ClH/c1-33(2,3)43-32(41)37-23-12-14-39(15-13-23)24-17-22(19-36-20-24)31-25-18-21(30-26(34)7-6-8-27(30)35)10-11-28(25)40(38-31)29-9-4-5-16-42-29;24-19-2-1-3-20(25)22(19)14-4-5-21-18(11-14)23(29-28-21)15-10-17(13-27-12-15)30-8-6-16(26)7-9-30;1-19(2,3)27-18(26)24-16-8-10-25(11-9-16)17-12-15(13-23-14-17)22-28-20(4,5)21(6,7)29-22;19-18-12-10-11(17-13(20)4-3-5-14(17)21)7-8-15(12)23(22-18)16-6-1-2-9-24-16;15-14-10-6-8(4-5-9(10)7-18-14)13-11(16)2-1-3-12(13)17;15-12-2-1-3-13(16)14(12)9-4-5-10-7-17-8-11(10)6-9;1-2-4-6-5-3-1;/h6-8,10-11,17-20,23,29H,4-5,9,12-16H2,1-3H3,(H,37,41);1-5,10-13,16H,6-9,26H2,(H,28,29);12-14,16H,8-11H2,1-7H3,(H,24,26);3-5,7-8,10,16H,1-2,6,9H2;1-6H,7H2;1-6,8H,7H2;2,4H,1,3,5H2;1H
• InChIKey: ZWZKTLVBCSZOJX-UHFFFAOYSA-N
• XLogP: 29.63
• TPSA: 286.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2449.63
LogP ≤ 5	29.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride?

The IUPAC name of 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride (CID 157256224) is 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride.

What is the SMILES notation for 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride?

The canonical SMILES for 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride is C1=COCCC1.CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(-c5c(F)cccc5F)cc34)c2)CC1.CC(C)(C)OC(=O)NC1CCN(c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1.Cl.Fc1cccc(F)c1-c1ccc2c(c1)C(Br)=NC2.Fc1cccc(F)c1-c1ccc2c(c1)C=NC2.Fc1cccc(F)c1-c1ccc2c(c1)c(Br)nn2C1CCCCO1.NC1CCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)c2)CC1.

What is the InChIKey of 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride?

The InChIKey is ZWZKTLVBCSZOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F2N5O3.C23H21F2N5.C21H34BN3O4.C18H15BrF2N2O.C14H8BrF2N.C14H9F2N.C5H8O.ClH/c1-33(2,3)43-32(41)37-23-12-14-39(15-13-23)24-17-22(19-36-20-24)31-25-18-21(30-26(34)7-6-8-27(30)35)10-11-28(25)40(38-31)29-9-4-5-16-42-29;24-19-2-1-3-20(25)22(19)14-4-5-21-18(11-14)23(29-28-21)15-10-17(13-27-12-15)30-8-6-16(26)7-9-30;1-19(2,3)27-18(26)24-16-8-10-25(11-9-16)17-12-15(13-23-14-17)22-28-20(4,5)21(6,7)29-22;19-18-12-10-11(17-13(20)4-3-5-14(17)21)7-8-15(12)23(22-18)16-6-1-2-9-24-16;15-14-10-6-8(4-5-9(10)7-18-14)13-11(16)2-1-3-12(13)17;15-12-2-1-3-13(16)14(12)9-4-5-10-7-17-8-11(10)6-9;1-2-4-6-5-3-1;/h6-8,10-11,17-20,23,29H,4-5,9,12-16H2,1-3H3,(H,37,41);1-5,10-13,16H,6-9,26H2,(H,28,29);12-14,16H,8-11H2,1-7H3,(H,24,26);3-5,7-8,10,16H,1-2,6,9H2;1-6H,7H2;1-6,8H,7H2;2,4H,1,3,5H2;1H.

What are the key properties of 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride?

3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride has a molecular weight of 2449.63 g/mol, XLogP of 29.63, 15 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(2,6-difluorophenyl)-1H-isoindole;3-bromo-5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazole;tert-butyl N-[1-[5-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-yl]carbamate;1-[5-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-3-pyridinyl]piperidin-4-amine;5-(2,6-difluorophenyl)-1H-isoindole;3,4-dihydro-2H-pyran;hydrochloride is sourced from PubChem (CID 157256224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).