6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C34H42N4O3Si — CID 140792058

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 140792058) has the molecular formula C34H42N4O3Si and a molecular weight of 582.82 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 140792058
• Molecular Formula: C34H42N4O3Si
• Molecular Weight: 582.82 g/mol
• Exact Mass: 582.30
• IUPAC Name: 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: CC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)NC(CO[Si](C)(C)C(C)(C)C)C4)cc2)cc1
• InChI: InChI=1S/C34H42N4O3Si/c1-23(2)25-10-8-24(9-11-25)21-40-29-14-12-26(13-15-29)30-31(27-16-18-35-19-17-27)37-38-20-28(36-33(39)32(30)38)22-41-42(6,7)34(3,4)5/h8-19,23,28H,20-22H2,1-7H3,(H,36,39)
• InChIKey: CAMGUSGICMLJQC-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.82
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	1
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 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 140792058) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)NC(CO[Si](C)(C)C(C)(C)C)C4)cc2)cc1.

What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is CAMGUSGICMLJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O3Si/c1-23(2)25-10-8-24(9-11-25)21-40-29-14-12-26(13-15-29)30-31(27-16-18-35-19-17-27)37-38-20-28(36-33(39)32(30)38)22-41-42(6,7)34(3,4)5/h8-19,23,28H,20-22H2,1-7H3,(H,36,39).

What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 582.82 g/mol, XLogP of 7.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 140792058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).