methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate

C28H38N4O4Si — CID 140794961

IUPACmethyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(N2CCC(Oc3cnc4c(c3)CCC4O[Si](C)(C)C(C)(C)C)CC2)nc1C#N
InChIInChI=1S/C28H38N4O4Si/c1-18-14-22(27(33)34-5)23(16-29)31-26(18)32-12-10-20(11-13-32)35-21-15-19-8-9-24(25(19)30-17-21)36-37(6,7)28(2,3)4/h14-15,17,20,24H,8-13H2,1-7H3
InChIKeyJHRCNQAPMSGXFR-UHFFFAOYSA-N
MW522.72 g/mol
LogP5.50
Rot. Bonds6

About methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate

methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate (PubChem CID 140794961) has the molecular formula C28H38N4O4Si and a molecular weight of 522.72 g/mol. Its IUPAC name is methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate
PubChem CID140794961
Molecular FormulaC28H38N4O4Si
Molecular Weight522.72 g/mol
Exact Mass522.27
IUPAC Namemethyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(N2CCC(Oc3cnc4c(c3)CCC4O[Si](C)(C)C(C)(C)C)CC2)nc1C#N
InChIInChI=1S/C28H38N4O4Si/c1-18-14-22(27(33)34-5)23(16-29)31-26(18)32-12-10-20(11-13-32)35-21-15-19-8-9-24(25(19)30-17-21)36-37(6,7)28(2,3)4/h14-15,17,20,24H,8-13H2,1-7H3
InChIKeyJHRCNQAPMSGXFR-UHFFFAOYSA-N
XLogP5.50
TPSA97.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.72
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-chloro-6-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 135154002
methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate
CID 129278018
methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate
CID 170906680
1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one
CID 135154709
2-amino-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N,5-dimethylpyridine-3-carboxamide
CID 135154350
methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate
CID 140704130
methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate
CID 135154375
7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one
CID 135154104
5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile
CID 129277731
5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid
CID 169081409
methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate
CID 134964315
1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 135154722

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate (CID 140794961) is methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate is COC(=O)c1cc(C)c(N2CCC(Oc3cnc4c(c3)CCC4O[Si](C)(C)C(C)(C)C)CC2)nc1C#N.
What is the InChIKey of methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate?
The InChIKey is JHRCNQAPMSGXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4Si/c1-18-14-22(27(33)34-5)23(16-29)31-26(18)32-12-10-20(11-13-32)35-21-15-19-8-9-24(25(19)30-17-21)36-37(6,7)28(2,3)4/h14-15,17,20,24H,8-13H2,1-7H3.
What are the key properties of methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate?
methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate has a molecular weight of 522.72 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[[7-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]oxy]piperidin-1-yl]-2-cyano-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 140794961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).