4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C35H47N7OSi — CID 58425490

About 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 58425490) has the molecular formula C35H47N7OSi and a molecular weight of 609.90 g/mol. Its IUPAC name is 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
• PubChem CID: 58425490
• Molecular Formula: C35H47N7OSi
• Molecular Weight: 609.90 g/mol
• Exact Mass: 609.36
• IUPAC Name: 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
• SMILES: CCC(O[Si](C(C)C)(C(C)C)C(C)C)(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C(C)C)c4)cc23)nc(N)n1
• InChI: InChI=1S/C35H47N7OSi/c1-10-35(28-14-12-11-13-15-28,43-44(23(4)5,24(6)7)25(8)9)32-17-31(40-34(36)41-32)30-20-38-33-29(30)16-26(18-37-33)27-19-39-42(21-27)22(2)3/h11-25H,10H2,1-9H3,(H,37,38)(H2,36,40,41)
• InChIKey: DYDZUYFSYMFIGB-UHFFFAOYSA-N
• XLogP: 8.89
• TPSA: 107.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.90
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

The IUPAC name of 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 58425490) is 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

The canonical SMILES for 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is CCC(O[Si](C(C)C)(C(C)C)C(C)C)(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C(C)C)c4)cc23)nc(N)n1.

What is the InChIKey of 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

The InChIKey is DYDZUYFSYMFIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N7OSi/c1-10-35(28-14-12-11-13-15-28,43-44(23(4)5,24(6)7)25(8)9)32-17-31(40-34(36)41-32)30-20-38-33-29(30)16-26(18-37-33)27-19-39-42(21-27)22(2)3/h11-25H,10H2,1-9H3,(H,37,38)(H2,36,40,41).

What are the key properties of 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 609.90 g/mol, XLogP of 8.89, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 58425490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).