tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C30H47FN2O2Si — CID 140830353

IUPACtert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)c(F)c12
InChIInChI=1S/C30H47FN2O2Si/c1-19(2)25-18-33(36(20(3)4,21(5)6)22(7)8)26-13-12-24(28(31)27(25)26)23-14-16-32(17-15-23)29(34)35-30(9,10)11/h12-14,18-22H,15-17H2,1-11H3
InChIKeyYMIYJFMYIZQZLG-UHFFFAOYSA-N
MW514.80 g/mol
LogP8.95
Rot. Bonds6

About tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 140830353) has the molecular formula C30H47FN2O2Si and a molecular weight of 514.80 g/mol. Its IUPAC name is tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID140830353
Molecular FormulaC30H47FN2O2Si
Molecular Weight514.80 g/mol
Exact Mass514.34
IUPAC Nametert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)c(F)c12
InChIInChI=1S/C30H47FN2O2Si/c1-19(2)25-18-33(36(20(3)4,21(5)6)22(7)8)26-13-12-24(28(31)27(25)26)23-14-16-32(17-15-23)29(34)35-30(9,10)11/h12-14,18-22H,15-17H2,1-11H3
InChIKeyYMIYJFMYIZQZLG-UHFFFAOYSA-N
XLogP8.95
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.80
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 4-(2-chloro-4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 23157130
tert-butyl 4-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 167471187
tert-butyl 4-(4-fluoronaphthalen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 130377999
tert-butyl 4-[4-chloro-2-[(1R)-1-hydroxyethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68519018
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-(5-fluoro-2,4-dihydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 67422663
tert-butyl 4-(2,3,4-trimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158431338
tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1-methylindazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162726023
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
tert-butyl 4-(4-amino-2-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162725975
tert-butyl 4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 18364827
tert-butyl 4-[4-[5-[2-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-propan-2-yl-1,2,4-triazol-3-yl]-3-(propan-2-ylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170665241

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 140830353) is tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)c(F)c12.
What is the InChIKey of tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YMIYJFMYIZQZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47FN2O2Si/c1-19(2)25-18-33(36(20(3)4,21(5)6)22(7)8)26-13-12-24(28(31)27(25)26)23-14-16-32(17-15-23)29(34)35-30(9,10)11/h12-14,18-22H,15-17H2,1-11H3.
What are the key properties of tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 514.80 g/mol, XLogP of 8.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-fluoro-3-propan-2-yl-1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 140830353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).