N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C36H45N9O5Si — CID 171758523

About N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 171758523) has the molecular formula C36H45N9O5Si and a molecular weight of 711.90 g/mol. Its IUPAC name is N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 171758523
• Molecular Formula: C36H45N9O5Si
• Molecular Weight: 711.90 g/mol
• Exact Mass: 711.33
• IUPAC Name: N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccnc(C2CC2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)nc(C(C)O[Si](C)(C)C(C)(C)C)n2)n1
• InChI: InChI=1S/C36H45N9O5Si/c1-20-11-12-37-32(38-20)25-14-26(25)34(47)41-28-15-29(42-31(40-28)21(2)50-51(7,8)36(3,4)5)49-19-24-17-44-16-23(22-9-10-22)13-27(33(44)39-24)45-18-30(46)43(6)35(45)48/h11-13,15-17,21-22,25-26H,9-10,14,18-19H2,1-8H3,(H,40,41,42,47)
• InChIKey: GSPXCSSSLVHTMO-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 157.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	711.90
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 171758523) is N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc(C2CC2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)nc(C(C)O[Si](C)(C)C(C)(C)C)n2)n1.

What is the InChIKey of N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The InChIKey is GSPXCSSSLVHTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N9O5Si/c1-20-11-12-37-32(38-20)25-14-26(25)34(47)41-28-15-29(42-31(40-28)21(2)50-51(7,8)36(3,4)5)49-19-24-17-44-16-23(22-9-10-22)13-27(33(44)39-24)45-18-30(46)43(6)35(45)48/h11-13,15-17,21-22,25-26H,9-10,14,18-19H2,1-8H3,(H,40,41,42,47).

What are the key properties of N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 711.90 g/mol, XLogP of 5.90, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).