N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione

C153H195F5N14O8S4Si3 — CID 159261403

About N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione

N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione (PubChem CID 159261403) has the molecular formula C153H195F5N14O8S4Si3 and a molecular weight of 2665.85 g/mol. Its IUPAC name is N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione.

Molecular Properties

• Compound Name: N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione
• PubChem CID: 159261403
• Molecular Formula: C153H195F5N14O8S4Si3
• Molecular Weight: 2665.85 g/mol
• Exact Mass: 2663.34
• IUPAC Name: N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione
• SMILES: CC(C)c1nc(C(C)C)c(CNc2ccc3cc[nH]c3c2)c(-c2ccc(F)cc2)c1CO.CC(C)c1nc(C(C)C)c(COS(C)(=O)=O)c(-c2ccc(F)cc2)c1CO[Si](C)(C)C(C)(C)C.CC(C)c1nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c(-c2ccc(F)cc2)c1CNc1ccc2cc[nH]c2c1.CC(C)c1nc(C(C)C)c(CSc2ccncc2)c(-c2ccc(F)cc2)c1CO.CC(C)c1nc(C(C)C)c(CSc2ccncc2)c(-c2ccc(F)cc2)c1CO[Si](C)(C)C(C)(C)C.Nc1ccc2[nH]ccc2c1.S=c1cc[nH]cc1
• InChI: InChI=1S/C33H44FN3OSi.C30H41FN2OSSi.C27H30FN3O.C26H40FNO4SSi.C24H27FN2OS.C8H8N2.C5H5NS/c1-21(2)31-27(19-36-26-15-12-23-16-17-35-29(23)18-26)30(24-10-13-25(34)14-11-24)28(32(37-31)22(3)4)20-38-39(8,9)33(5,6)7;1-20(2)28-25(18-34-36(8,9)30(5,6)7)27(22-10-12-23(31)13-11-22)26(29(33-28)21(3)4)19-35-24-14-16-32-17-15-24;1-16(2)26-22(14-30-21-10-7-18-11-12-29-24(18)13-21)25(19-5-8-20(28)9-6-19)23(15-32)27(31-26)17(3)4;1-17(2)24-21(15-31-33(8,29)30)23(19-11-13-20(27)14-12-19)22(25(28-24)18(3)4)16-32-34(9,10)26(5,6)7;1-15(2)23-20(13-28)22(17-5-7-18(25)8-6-17)21(24(27-23)16(3)4)14-29-19-9-11-26-12-10-19;9-7-1-2-8-6(5-7)3-4-10-8;7-5-1-3-6-4-2-5/h10-18,21-22,35-36H,19-20H2,1-9H3;10-17,20-21H,18-19H2,1-9H3;5-13,16-17,29-30,32H,14-15H2,1-4H3;11-14,17-18H,15-16H2,1-10H3;5-12,15-16,28H,13-14H2,1-4H3;1-5,10H,9H2;1-4H,(H,6,7)
• InChIKey: KWOBKOPECSDGPO-UHFFFAOYSA-N
• XLogP: 42.75
• TPSA: 314.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 41
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2665.85
LogP ≤ 5	42.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione?

The IUPAC name of N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione (CID 159261403) is N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione.

What is the SMILES notation for N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione?

The canonical SMILES for N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione is CC(C)c1nc(C(C)C)c(CNc2ccc3cc[nH]c3c2)c(-c2ccc(F)cc2)c1CO.CC(C)c1nc(C(C)C)c(COS(C)(=O)=O)c(-c2ccc(F)cc2)c1CO[Si](C)(C)C(C)(C)C.CC(C)c1nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c(-c2ccc(F)cc2)c1CNc1ccc2cc[nH]c2c1.CC(C)c1nc(C(C)C)c(CSc2ccncc2)c(-c2ccc(F)cc2)c1CO.CC(C)c1nc(C(C)C)c(CSc2ccncc2)c(-c2ccc(F)cc2)c1CO[Si](C)(C)C(C)(C)C.Nc1ccc2[nH]ccc2c1.S=c1cc[nH]cc1.

What is the InChIKey of N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione?

The InChIKey is KWOBKOPECSDGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44FN3OSi.C30H41FN2OSSi.C27H30FN3O.C26H40FNO4SSi.C24H27FN2OS.C8H8N2.C5H5NS/c1-21(2)31-27(19-36-26-15-12-23-16-17-35-29(23)18-26)30(24-10-13-25(34)14-11-24)28(32(37-31)22(3)4)20-38-39(8,9)33(5,6)7;1-20(2)28-25(18-34-36(8,9)30(5,6)7)27(22-10-12-23(31)13-11-22)26(29(33-28)21(3)4)19-35-24-14-16-32-17-15-24;1-16(2)26-22(14-30-21-10-7-18-11-12-29-24(18)13-21)25(19-5-8-20(28)9-6-19)23(15-32)27(31-26)17(3)4;1-17(2)24-21(15-31-33(8,29)30)23(19-11-13-20(27)14-12-19)22(25(28-24)18(3)4)16-32-34(9,10)26(5,6)7;1-15(2)23-20(13-28)22(17-5-7-18(25)8-6-17)21(24(27-23)16(3)4)14-29-19-9-11-26-12-10-19;9-7-1-2-8-6(5-7)3-4-10-8;7-5-1-3-6-4-2-5/h10-18,21-22,35-36H,19-20H2,1-9H3;10-17,20-21H,18-19H2,1-9H3;5-13,16-17,29-30,32H,14-15H2,1-4H3;11-14,17-18H,15-16H2,1-10H3;5-12,15-16,28H,13-14H2,1-4H3;1-5,10H,9H2;1-4H,(H,6,7).

What are the key properties of N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione?

N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione has a molecular weight of 2665.85 g/mol, XLogP of 42.75, 41 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl]-1H-indol-6-amine;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methyl methanesulfonate;tert-butyl-[[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methoxy]-dimethylsilane;[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol;[4-(4-fluorophenyl)-5-[(1H-indol-6-ylamino)methyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol;1H-indol-5-amine;1H-pyridine-4-thione is sourced from PubChem (CID 159261403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).