7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one

C22H36N4O2Si — CID 176724183

IUPAC7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESC[C@H]1CCCN(Cc2nc3c(C4CC4)c[nH]c(=O)c3n2COCC[Si](C)(C)C)C1
InChIInChI=1S/C22H36N4O2Si/c1-16-6-5-9-25(13-16)14-19-24-20-18(17-7-8-17)12-23-22(27)21(20)26(19)15-28-10-11-29(2,3)4/h12,16-17H,5-11,13-15H2,1-4H3,(H,23,27)/t16-/m0/s1
InChIKeyGIRZVNCWUSXIMV-INIZCTEOSA-N
MW416.64 g/mol
LogP4.15
Rot. Bonds8

About 7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one

7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 176724183) has the molecular formula C22H36N4O2Si and a molecular weight of 416.64 g/mol. Its IUPAC name is 7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID176724183
Molecular FormulaC22H36N4O2Si
Molecular Weight416.64 g/mol
Exact Mass416.26
IUPAC Name7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESC[C@H]1CCCN(Cc2nc3c(C4CC4)c[nH]c(=O)c3n2COCC[Si](C)(C)C)C1
InChIInChI=1S/C22H36N4O2Si/c1-16-6-5-9-25(13-16)14-19-24-20-18(17-7-8-17)12-23-22(27)21(20)26(19)15-28-10-11-29(2,3)4/h12,16-17H,5-11,13-15H2,1-4H3,(H,23,27)/t16-/m0/s1
InChIKeyGIRZVNCWUSXIMV-INIZCTEOSA-N
XLogP4.15
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.64
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one
CID 176724206
4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-one
CID 172608507
4-[2-cyclopropyl-6-[4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-6-yl]-4-pyridinyl]-3-[1-(trideuteriomethyl)imidazol-2-yl]benzonitrile
CID 176588958
1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-7-(2-methylpropyl)purine-2,6-dione
CID 3622090
3-ethyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]quinazolin-4-one
CID 92589759
8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione
CID 57498802
2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide
CID 767630
2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 23137328
2-[[(3R)-3-methylpiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135869251
2-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-3H-quinazolin-4-one
CID 171102066
7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CID 175929813
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 17445386

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one (CID 176724183) is 7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one is C[C@H]1CCCN(Cc2nc3c(C4CC4)c[nH]c(=O)c3n2COCC[Si](C)(C)C)C1.
What is the InChIKey of 7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is GIRZVNCWUSXIMV-INIZCTEOSA-N. The full InChI is InChI=1S/C22H36N4O2Si/c1-16-6-5-9-25(13-16)14-19-24-20-18(17-7-8-17)12-23-22(27)21(20)26(19)15-28-10-11-29(2,3)4/h12,16-17H,5-11,13-15H2,1-4H3,(H,23,27)/t16-/m0/s1.
What are the key properties of 7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 416.64 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 176724183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).