5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C35H42F2N4O3Si — CID 140792082

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)c1cc(F)c(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(CCO[Si](C)(C)C(C)(C)C)CC4)cc2)c(F)c1
InChIInChI=1S/C35H42F2N4O3Si/c1-23(2)26-20-29(36)28(30(37)21-26)22-43-27-10-8-24(9-11-27)31-32(25-12-14-38-15-13-25)39-41-17-16-40(34(42)33(31)41)18-19-44-45(6,7)35(3,4)5/h8-15,20-21,23H,16-19,22H2,1-7H3
InChIKeyQRDJYWFJRGVZPC-UHFFFAOYSA-N
MW632.83 g/mol
LogP8.07
Rot. Bonds10

About 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 140792082) has the molecular formula C35H42F2N4O3Si and a molecular weight of 632.83 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID140792082
Molecular FormulaC35H42F2N4O3Si
Molecular Weight632.83 g/mol
Exact Mass632.30
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)c1cc(F)c(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(CCO[Si](C)(C)C(C)(C)C)CC4)cc2)c(F)c1
InChIInChI=1S/C35H42F2N4O3Si/c1-23(2)26-20-29(36)28(30(37)21-26)22-43-27-10-8-24(9-11-27)31-32(25-12-14-38-15-13-25)39-41-17-16-40(34(42)33(31)41)18-19-44-45(6,7)35(3,4)5/h8-15,20-21,23H,16-19,22H2,1-7H3
InChIKeyQRDJYWFJRGVZPC-UHFFFAOYSA-N
XLogP8.07
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.83
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 140792082) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC(C)c1cc(F)c(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(CCO[Si](C)(C)C(C)(C)C)CC4)cc2)c(F)c1.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QRDJYWFJRGVZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42F2N4O3Si/c1-23(2)26-20-29(36)28(30(37)21-26)22-43-27-10-8-24(9-11-27)31-32(25-12-14-38-15-13-25)39-41-17-16-40(34(42)33(31)41)18-19-44-45(6,7)35(3,4)5/h8-15,20-21,23H,16-19,22H2,1-7H3.
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 632.83 g/mol, XLogP of 8.07, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[4-[(2,6-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 140792082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).