2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide

C33H36F2N4O4Si — CID 162712903

IUPAC2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC(=O)C4CC4(F)F)c3)cc2C1
InChIInChI=1S/C33H36F2N4O4Si/c1-44(2,3)14-13-41-21-39-19-28(22-7-5-4-6-8-22)37-31(39)24-15-23-16-25(9-10-29(23)42-20-24)43-26-11-12-36-30(17-26)38-32(40)27-18-33(27,34)35/h4-12,16-17,19,24,27H,13-15,18,20-21H2,1-3H3,(H,36,38,40)
InChIKeyPLRYZVAHWSAXHW-UHFFFAOYSA-N
MW618.76 g/mol
LogP7.36
Rot. Bonds11

About 2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide

2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 162712903) has the molecular formula C33H36F2N4O4Si and a molecular weight of 618.76 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID162712903
Molecular FormulaC33H36F2N4O4Si
Molecular Weight618.76 g/mol
Exact Mass618.25
IUPAC Name2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC(=O)C4CC4(F)F)c3)cc2C1
InChIInChI=1S/C33H36F2N4O4Si/c1-44(2,3)14-13-41-21-39-19-28(22-7-5-4-6-8-22)37-31(39)24-15-23-16-25(9-10-29(23)42-20-24)43-26-11-12-36-30(17-26)38-32(40)27-18-33(27,34)35/h4-12,16-17,19,24,27H,13-15,18,20-21H2,1-3H3,(H,36,38,40)
InChIKeyPLRYZVAHWSAXHW-UHFFFAOYSA-N
XLogP7.36
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.76
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide (CID 162712903) is 2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide is C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC(=O)C4CC4(F)F)c3)cc2C1.
What is the InChIKey of 2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is PLRYZVAHWSAXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F2N4O4Si/c1-44(2,3)14-13-41-21-39-19-28(22-7-5-4-6-8-22)37-31(39)24-15-23-16-25(9-10-29(23)42-20-24)43-26-11-12-36-30(17-26)38-32(40)27-18-33(27,34)35/h4-12,16-17,19,24,27H,13-15,18,20-21H2,1-3H3,(H,36,38,40).
What are the key properties of 2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 618.76 g/mol, XLogP of 7.36, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 162712903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).