N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide

C27H28Cl2F3N5O2Si — CID 86712614

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide (PubChem CID 86712614) has the molecular formula C27H28Cl2F3N5O2Si and a molecular weight of 610.54 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide
• PubChem CID: 86712614
• Molecular Formula: C27H28Cl2F3N5O2Si
• Molecular Weight: 610.54 g/mol
• Exact Mass: 609.13
• IUPAC Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide
• SMILES: CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(Cl)ncnc1Cl)c1cnc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1
• InChI: InChI=1S/C27H28Cl2F3N5O2Si/c1-26(2,3)40(4,5)39-13-12-37(25(38)21-22(28)34-16-35-23(21)29)20-14-17-10-11-36(24(17)33-15-20)19-8-6-18(7-9-19)27(30,31)32/h6-11,14-16H,12-13H2,1-5H3
• InChIKey: IYCXMPRUVPGPBR-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.54
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide (CID 86712614) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide is CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(Cl)ncnc1Cl)c1cnc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1.

What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide?

The InChIKey is IYCXMPRUVPGPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2F3N5O2Si/c1-26(2,3)40(4,5)39-13-12-37(25(38)21-22(28)34-16-35-23(21)29)20-14-17-10-11-36(24(17)33-15-20)19-8-6-18(7-9-19)27(30,31)32/h6-11,14-16H,12-13H2,1-5H3.

What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide?

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide has a molecular weight of 610.54 g/mol, XLogP of 7.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 86712614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).