2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane

C25H26ClF2N7OSi — CID 171630440

IUPAC2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2cc3c(cn2)NC(c2c(F)cccc2F)=Nc2c(Cl)nn(COCC[Si](C)(C)C)c2-3)cn1
InChIInChI=1S/C25H26ClF2N7OSi/c1-34-13-15(11-30-34)19-10-16-20(12-29-19)31-25(21-17(27)6-5-7-18(21)28)32-22-23(16)35(33-24(22)26)14-36-8-9-37(2,3)4/h5-7,10-13H,8-9,14H2,1-4H3,(H,31,32)
InChIKeyKYZYPQLDIUSIKS-UHFFFAOYSA-N
MW542.07 g/mol
LogP6.09
Rot. Bonds7

About 2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane

2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane (PubChem CID 171630440) has the molecular formula C25H26ClF2N7OSi and a molecular weight of 542.07 g/mol. Its IUPAC name is 2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane
PubChem CID171630440
Molecular FormulaC25H26ClF2N7OSi
Molecular Weight542.07 g/mol
Exact Mass541.16
IUPAC Name2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2cc3c(cn2)NC(c2c(F)cccc2F)=Nc2c(Cl)nn(COCC[Si](C)(C)C)c2-3)cn1
InChIInChI=1S/C25H26ClF2N7OSi/c1-34-13-15(11-30-34)19-10-16-20(12-29-19)31-25(21-17(27)6-5-7-18(21)28)32-22-23(16)35(33-24(22)26)14-36-8-9-37(2,3)4/h5-7,10-13H,8-9,14H2,1-4H3,(H,31,32)
InChIKeyKYZYPQLDIUSIKS-UHFFFAOYSA-N
XLogP6.09
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.07
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane (CID 171630440) is 2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane is Cn1cc(-c2cc3c(cn2)NC(c2c(F)cccc2F)=Nc2c(Cl)nn(COCC[Si](C)(C)C)c2-3)cn1.
What is the InChIKey of 2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KYZYPQLDIUSIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF2N7OSi/c1-34-13-15(11-30-34)19-10-16-20(12-29-19)31-25(21-17(27)6-5-7-18(21)28)32-22-23(16)35(33-24(22)26)14-36-8-9-37(2,3)4/h5-7,10-13H,8-9,14H2,1-4H3,(H,31,32).
What are the key properties of 2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane?
2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 542.07 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-8-(2,6-difluorophenyl)-13-(1-methylpyrazol-4-yl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10,12-hexaen-3-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171630440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).