N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H30F2N6O4Si — CID 153278796

About N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 153278796) has the molecular formula C26H30F2N6O4Si and a molecular weight of 556.65 g/mol. Its IUPAC name is N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 153278796
• Molecular Formula: C26H30F2N6O4Si
• Molecular Weight: 556.65 g/mol
• Exact Mass: 556.21
• IUPAC Name: N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[Si](C)(C)CCOCn1ncc(NC(=O)c2cnn3cccnc23)c1-c1cc2c(cc1OC(F)F)CCCO2
• InChI: InChI=1S/C26H30F2N6O4Si/c1-39(2,3)11-10-36-16-34-23(18-13-21-17(6-4-9-37-21)12-22(18)38-26(27)28)20(15-31-34)32-25(35)19-14-30-33-8-5-7-29-24(19)33/h5,7-8,12-15,26H,4,6,9-11,16H2,1-3H3,(H,32,35)
• InChIKey: RNDANCTYTLSNBE-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 104.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.65
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 153278796) is N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[Si](C)(C)CCOCn1ncc(NC(=O)c2cnn3cccnc23)c1-c1cc2c(cc1OC(F)F)CCCO2.

What is the InChIKey of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is RNDANCTYTLSNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O4Si/c1-39(2,3)11-10-36-16-34-23(18-13-21-17(6-4-9-37-21)12-22(18)38-26(27)28)20(15-31-34)32-25(35)19-14-30-33-8-5-7-29-24(19)33/h5,7-8,12-15,26H,4,6,9-11,16H2,1-3H3,(H,32,35).

What are the key properties of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 556.65 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 153278796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).