1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone

C68H101ClN12O6Si2 — CID 157346026

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone (PubChem CID 157346026) has the molecular formula C68H101ClN12O6Si2 and a molecular weight of 1274.26 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone
• PubChem CID: 157346026
• Molecular Formula: C68H101ClN12O6Si2
• Molecular Weight: 1274.26 g/mol
• Exact Mass: 1272.72
• IUPAC Name: 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone
• SMILES: CC(C)(C)[Si](C)(C)OCCn1cc(N)cn1.CC(C)OC1CN(C(=O)CC2CCCCc3cc(-c4ccnc(Cl)n4)ccc32)C1.CC(C)OC1CN(C(=O)CC2CCCCc3cc(-c4ccnc(Nc5cnn(CCO[Si](C)(C)C(C)(C)C)c5)n4)ccc32)C1
• InChI: InChI=1S/C34H50N6O3Si.C23H28ClN3O2.C11H23N3OSi/c1-24(2)43-29-22-39(23-29)32(41)19-26-11-9-8-10-25-18-27(12-13-30(25)26)31-14-15-35-33(38-31)37-28-20-36-40(21-28)16-17-42-44(6,7)34(3,4)5;1-15(2)29-19-13-27(14-19)22(28)12-17-6-4-3-5-16-11-18(7-8-20(16)17)21-9-10-25-23(24)26-21;1-11(2,3)16(4,5)15-7-6-14-9-10(12)8-13-14/h12-15,18,20-21,24,26,29H,8-11,16-17,19,22-23H2,1-7H3,(H,35,37,38);7-11,15,17,19H,3-6,12-14H2,1-2H3;8-9H,6-7,12H2,1-5H3
• InChIKey: BGZCYFKGFPPFPO-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 202.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1274.26
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?

The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone (CID 157346026) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone.

What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?

The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone is CC(C)(C)[Si](C)(C)OCCn1cc(N)cn1.CC(C)OC1CN(C(=O)CC2CCCCc3cc(-c4ccnc(Cl)n4)ccc32)C1.CC(C)OC1CN(C(=O)CC2CCCCc3cc(-c4ccnc(Nc5cnn(CCO[Si](C)(C)C(C)(C)C)c5)n4)ccc32)C1.

What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?

The InChIKey is BGZCYFKGFPPFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N6O3Si.C23H28ClN3O2.C11H23N3OSi/c1-24(2)43-29-22-39(23-29)32(41)19-26-11-9-8-10-25-18-27(12-13-30(25)26)31-14-15-35-33(38-31)37-28-20-36-40(21-28)16-17-42-44(6,7)34(3,4)5;1-15(2)29-19-13-27(14-19)22(28)12-17-6-4-3-5-16-11-18(7-8-20(16)17)21-9-10-25-23(24)26-21;1-11(2,3)16(4,5)15-7-6-14-9-10(12)8-13-14/h12-15,18,20-21,24,26,29H,8-11,16-17,19,22-23H2,1-7H3,(H,35,37,38);7-11,15,17,19H,3-6,12-14H2,1-2H3;8-9H,6-7,12H2,1-5H3.

What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone has a molecular weight of 1274.26 g/mol, XLogP of 14.06, 20 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-amine;2-[2-[2-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;2-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1-(3-propan-2-yloxyazetidin-1-yl)ethanone is sourced from PubChem (CID 157346026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).