3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol

C29H32FN3O2Si — CID 151005541

IUPAC3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol
SMILESCOc1cccc(F)c1-c1ccc2[nH]c(O)c(/C(C)=N/c3ccc(N4CC[Si](C)(C)CC4)cc3)c2c1
InChIInChI=1S/C29H32FN3O2Si/c1-19(31-21-9-11-22(12-10-21)33-14-16-36(3,4)17-15-33)27-23-18-20(8-13-25(23)32-29(27)34)28-24(30)6-5-7-26(28)35-2/h5-13,18,32,34H,14-17H2,1-4H3/b31-19+
InChIKeyYUOJFADWKWHFDJ-ZCTHSVRISA-N
MW501.68 g/mol
LogP7.36
Rot. Bonds5

About 3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol

3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol (PubChem CID 151005541) has the molecular formula C29H32FN3O2Si and a molecular weight of 501.68 g/mol. Its IUPAC name is 3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol
PubChem CID151005541
Molecular FormulaC29H32FN3O2Si
Molecular Weight501.68 g/mol
Exact Mass501.22
IUPAC Name3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol
SMILESCOc1cccc(F)c1-c1ccc2[nH]c(O)c(/C(C)=N/c3ccc(N4CC[Si](C)(C)CC4)cc3)c2c1
InChIInChI=1S/C29H32FN3O2Si/c1-19(31-21-9-11-22(12-10-21)33-14-16-36(3,4)17-15-33)27-23-18-20(8-13-25(23)32-29(27)34)28-24(30)6-5-7-26(28)35-2/h5-13,18,32,34H,14-17H2,1-4H3/b31-19+
InChIKeyYUOJFADWKWHFDJ-ZCTHSVRISA-N
XLogP7.36
TPSA60.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.68
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol 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 3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol?
The IUPAC name of 3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol (CID 151005541) is 3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol.
What is the SMILES notation for 3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol?
The canonical SMILES for 3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol is COc1cccc(F)c1-c1ccc2[nH]c(O)c(/C(C)=N/c3ccc(N4CC[Si](C)(C)CC4)cc3)c2c1.
What is the InChIKey of 3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol?
The InChIKey is YUOJFADWKWHFDJ-ZCTHSVRISA-N. The full InChI is InChI=1S/C29H32FN3O2Si/c1-19(31-21-9-11-22(12-10-21)33-14-16-36(3,4)17-15-33)27-23-18-20(8-13-25(23)32-29(27)34)28-24(30)6-5-7-26(28)35-2/h5-13,18,32,34H,14-17H2,1-4H3/b31-19+.
What are the key properties of 3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol?
3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol has a molecular weight of 501.68 g/mol, XLogP of 7.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol is sourced from PubChem (CID 151005541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).