2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride

C100H121BCl2F8N22O5Si3 — CID 158089964

About 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride

2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride (PubChem CID 158089964) has the molecular formula C100H121BCl2F8N22O5Si3 and a molecular weight of 2029.18 g/mol. Its IUPAC name is 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride.

Molecular Properties

• Compound Name: 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride
• PubChem CID: 158089964
• Molecular Formula: C100H121BCl2F8N22O5Si3
• Molecular Weight: 2029.18 g/mol
• Exact Mass: 2026.85
• IUPAC Name: 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride
• SMILES: C[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(N2CCC(F)(F)CC2)ncn1.Cc1ccc2nn(COCC[Si](C)(C)C)c(-c3cc(Cl)ncn3)c2c1.Cc1ccc2nn(COCC[Si](C)(C)C)c(-c3cc(N4CCC(F)(F)CC4)ncn3)c2c1.Cl.FC1(F)CCN(c2cc(C3=NCc4ccc(-c5cccnc5)cc43)ncn2)CC1.FC1(F)CCNCC1.OB(O)c1cccnc1
• InChI: InChI=1S/C27H32F2N6OSi.C23H31F2N5OSi.C22H19F2N5.C18H23ClN4OSi.C5H6BNO2.C5H9F2N.ClH/c1-37(2,3)14-13-36-19-35-26(22-15-20(6-7-23(22)33-35)21-5-4-10-30-17-21)24-16-25(32-18-31-24)34-11-8-27(28,29)9-12-34;1-17-5-6-19-18(13-17)22(30(28-19)16-31-11-12-32(2,3)4)20-14-21(27-15-26-20)29-9-7-23(24,25)8-10-29;23-22(24)5-8-29(9-6-22)20-11-19(27-14-28-20)21-18-10-15(3-4-17(18)13-26-21)16-2-1-7-25-12-16;1-13-5-6-15-14(9-13)18(16-10-17(19)21-11-20-16)23(22-15)12-24-7-8-25(2,3)4;8-6(9)5-2-1-3-7-4-5;6-5(7)1-3-8-4-2-5;/h4-7,10,15-18H,8-9,11-14,19H2,1-3H3;5-6,13-15H,7-12,16H2,1-4H3;1-4,7,10-12,14H,5-6,8-9,13H2;5-6,9-11H,7-8,12H2,1-4H3;1-4,8-9H;8H,1-4H2;1H
• InChIKey: KPMKUSOWTPQLEW-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 297.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2029.18
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride?

The IUPAC name of 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride (CID 158089964) is 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride.

What is the SMILES notation for 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride?

The canonical SMILES for 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride is C[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(N2CCC(F)(F)CC2)ncn1.Cc1ccc2nn(COCC[Si](C)(C)C)c(-c3cc(Cl)ncn3)c2c1.Cc1ccc2nn(COCC[Si](C)(C)C)c(-c3cc(N4CCC(F)(F)CC4)ncn3)c2c1.Cl.FC1(F)CCN(c2cc(C3=NCc4ccc(-c5cccnc5)cc43)ncn2)CC1.FC1(F)CCNCC1.OB(O)c1cccnc1.

What is the InChIKey of 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride?

The InChIKey is KPMKUSOWTPQLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N6OSi.C23H31F2N5OSi.C22H19F2N5.C18H23ClN4OSi.C5H6BNO2.C5H9F2N.ClH/c1-37(2,3)14-13-36-19-35-26(22-15-20(6-7-23(22)33-35)21-5-4-10-30-17-21)24-16-25(32-18-31-24)34-11-8-27(28,29)9-12-34;1-17-5-6-19-18(13-17)22(30(28-19)16-31-11-12-32(2,3)4)20-14-21(27-15-26-20)29-9-7-23(24,25)8-10-29;23-22(24)5-8-29(9-6-22)20-11-19(27-14-28-20)21-18-10-15(3-4-17(18)13-26-21)16-2-1-7-25-12-16;1-13-5-6-15-14(9-13)18(16-10-17(19)21-11-20-16)23(22-15)12-24-7-8-25(2,3)4;8-6(9)5-2-1-3-7-4-5;6-5(7)1-3-8-4-2-5;/h4-7,10,15-18H,8-9,11-14,19H2,1-3H3;5-6,13-15H,7-12,16H2,1-4H3;1-4,7,10-12,14H,5-6,8-9,13H2;5-6,9-11H,7-8,12H2,1-4H3;1-4,8-9H;8H,1-4H2;1H.

What are the key properties of 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride?

2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride has a molecular weight of 2029.18 g/mol, XLogP of 20.53, 25 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride is sourced from PubChem (CID 158089964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).