tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane

C25H35N5OSi — CID 24915277

About tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane

tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane (PubChem CID 24915277) has the molecular formula C25H35N5OSi and a molecular weight of 449.68 g/mol. Its IUPAC name is tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane
• PubChem CID: 24915277
• Molecular Formula: C25H35N5OSi
• Molecular Weight: 449.68 g/mol
• Exact Mass: 449.26
• IUPAC Name: tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane
• SMILES: CC(C)[Si](c1ncc(CN2CCc3nc(-c4ccncc4)ncc3C2)o1)(C(C)C)C(C)C
• InChI: InChI=1S/C25H35N5OSi/c1-17(2)32(18(3)4,19(5)6)25-28-14-22(31-25)16-30-12-9-23-21(15-30)13-27-24(29-23)20-7-10-26-11-8-20/h7-8,10-11,13-14,17-19H,9,12,15-16H2,1-6H3
• InChIKey: BOGLTBIFZXRMHN-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 67.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.68
LogP ≤ 5	4.97
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 tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane?

The IUPAC name of tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane (CID 24915277) is tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane.

What is the SMILES notation for tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane?

The canonical SMILES for tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane is CC(C)[Si](c1ncc(CN2CCc3nc(-c4ccncc4)ncc3C2)o1)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane?

The InChIKey is BOGLTBIFZXRMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5OSi/c1-17(2)32(18(3)4,19(5)6)25-28-14-22(31-25)16-30-12-9-23-21(15-30)13-27-24(29-23)20-7-10-26-11-8-20/h7-8,10-11,13-14,17-19H,9,12,15-16H2,1-6H3.

What are the key properties of tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane?

tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane has a molecular weight of 449.68 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane is sourced from PubChem (CID 24915277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).