5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile

C28H34FN5O3Si — CID 156665648

IUPAC5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C2CC=NN2C(=O)C23CC(COc4cnc(C#N)cn4)(C2)C3)ccc1F
InChIInChI=1S/C28H34FN5O3Si/c1-26(2,3)38(4,5)37-14-20-10-19(6-7-22(20)29)23-8-9-33-34(23)25(35)28-15-27(16-28,17-28)18-36-24-13-31-21(11-30)12-32-24/h6-7,9-10,12-13,23H,8,14-18H2,1-5H3
InChIKeyNPIQKQPYGREVAW-UHFFFAOYSA-N
MW535.70 g/mol
LogP5.52
Rot. Bonds8

About 5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile

5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile (PubChem CID 156665648) has the molecular formula C28H34FN5O3Si and a molecular weight of 535.70 g/mol. Its IUPAC name is 5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile
PubChem CID156665648
Molecular FormulaC28H34FN5O3Si
Molecular Weight535.70 g/mol
Exact Mass535.24
IUPAC Name5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C2CC=NN2C(=O)C23CC(COc4cnc(C#N)cn4)(C2)C3)ccc1F
InChIInChI=1S/C28H34FN5O3Si/c1-26(2,3)38(4,5)37-14-20-10-19(6-7-22(20)29)23-8-9-33-34(23)25(35)28-15-27(16-28,17-28)18-36-24-13-31-21(11-30)12-32-24/h6-7,9-10,12-13,23H,8,14-18H2,1-5H3
InChIKeyNPIQKQPYGREVAW-UHFFFAOYSA-N
XLogP5.52
TPSA100.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.70
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile (CID 156665648) is 5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile is CC(C)(C)[Si](C)(C)OCc1cc(C2CC=NN2C(=O)C23CC(COc4cnc(C#N)cn4)(C2)C3)ccc1F.
What is the InChIKey of 5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile?
The InChIKey is NPIQKQPYGREVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O3Si/c1-26(2,3)38(4,5)37-14-20-10-19(6-7-22(20)29)23-8-9-33-34(23)25(35)28-15-27(16-28,17-28)18-36-24-13-31-21(11-30)12-32-24/h6-7,9-10,12-13,23H,8,14-18H2,1-5H3.
What are the key properties of 5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile?
5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile has a molecular weight of 535.70 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile is sourced from PubChem (CID 156665648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).