6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate

C61H75F4N15O4Si — CID 158244073

About 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate

6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate (PubChem CID 158244073) has the molecular formula C61H75F4N15O4Si and a molecular weight of 1186.45 g/mol. Its IUPAC name is 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate
• PubChem CID: 158244073
• Molecular Formula: C61H75F4N15O4Si
• Molecular Weight: 1186.45 g/mol
• Exact Mass: 1185.58
• IUPAC Name: 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate
• SMILES: Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)CNC(=O)OC(C)(C)C)C5)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCO[Si](C)(C)C(C)(C)C)C5)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C31H41F2N7OSi.C30H34F2N8O3/c1-19(2)40-20(3)35-29-23(32)15-22(16-26(29)40)28-24(33)17-34-30(38-28)37-27-10-9-21-18-39(12-11-25(21)36-27)13-14-41-42(7,8)31(4,5)6;1-16(2)40-17(3)35-27-20(31)11-19(12-23(27)40)26-21(32)13-33-28(38-26)37-24-8-7-18-15-39(10-9-22(18)36-24)25(41)14-34-29(42)43-30(4,5)6/h9-10,15-17,19H,11-14,18H2,1-8H3,(H,34,36,37,38);7-8,11-13,16H,9-10,14-15H2,1-6H3,(H,34,42)(H,33,36,37,38)
• InChIKey: GFXGDQWVCGJEBN-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 208.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1186.45
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate?

The IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate (CID 158244073) is 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate.

What is the SMILES notation for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate?

The canonical SMILES for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate is Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)CNC(=O)OC(C)(C)C)C5)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCO[Si](C)(C)C(C)(C)C)C5)ncc3F)cc2n1C(C)C.

What is the InChIKey of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate?

The InChIKey is GFXGDQWVCGJEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41F2N7OSi.C30H34F2N8O3/c1-19(2)40-20(3)35-29-23(32)15-22(16-26(29)40)28-24(33)17-34-30(38-28)37-27-10-9-21-18-39(12-11-25(21)36-27)13-14-41-42(7,8)31(4,5)6;1-16(2)40-17(3)35-27-20(31)11-19(12-23(27)40)26-21(32)13-33-28(38-26)37-24-8-7-18-15-39(10-9-22(18)36-24)25(41)14-34-29(42)43-30(4,5)6/h9-10,15-17,19H,11-14,18H2,1-8H3,(H,34,36,37,38);7-8,11-13,16H,9-10,14-15H2,1-6H3,(H,34,42)(H,33,36,37,38).

What are the key properties of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate?

6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate has a molecular weight of 1186.45 g/mol, XLogP of 12.39, 14 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 158244073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).