3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C32H42N4O3Si — CID 159619737

IUPAC3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC1CCc2cc(-c3cnc(CC4(C)CCCC4)o3)c(-c3cnc4c(c3)C(=O)N(COCC[Si](C)(C)C)C4)nc21
InChIInChI=1S/C32H42N4O3Si/c1-21-8-9-22-14-25(27-18-34-28(39-27)16-32(2)10-6-7-11-32)30(35-29(21)22)23-15-24-26(33-17-23)19-36(31(24)37)20-38-12-13-40(3,4)5/h14-15,17-18,21H,6-13,16,19-20H2,1-5H3
InChIKeyMNSWLZGAMSBPKZ-UHFFFAOYSA-N
MW558.80 g/mol
LogP7.24
Rot. Bonds9

About 3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 159619737) has the molecular formula C32H42N4O3Si and a molecular weight of 558.80 g/mol. Its IUPAC name is 3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID159619737
Molecular FormulaC32H42N4O3Si
Molecular Weight558.80 g/mol
Exact Mass558.30
IUPAC Name3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC1CCc2cc(-c3cnc(CC4(C)CCCC4)o3)c(-c3cnc4c(c3)C(=O)N(COCC[Si](C)(C)C)C4)nc21
InChIInChI=1S/C32H42N4O3Si/c1-21-8-9-22-14-25(27-18-34-28(39-27)16-32(2)10-6-7-11-32)30(35-29(21)22)23-15-24-26(33-17-23)19-36(31(24)37)20-38-12-13-40(3,4)5/h14-15,17-18,21H,6-13,16,19-20H2,1-5H3
InChIKeyMNSWLZGAMSBPKZ-UHFFFAOYSA-N
XLogP7.24
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.80
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

6-but-2-ynyl-3-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129285856
2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one
CID 129301907
3-[5-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]propanenitrile
CID 129285901
5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 66779522
2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 159477768
5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile
CID 177245930
2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471535
6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285848
N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 156794328
2-chloro-9-[(1S,2R)-2-methylcyclohexyl]-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 87278369
(4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one
CID 10357175
(4S,5R)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one
CID 10469798

Frequently Asked Questions

What is the IUPAC name of 3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 159619737) is 3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is CC1CCc2cc(-c3cnc(CC4(C)CCCC4)o3)c(-c3cnc4c(c3)C(=O)N(COCC[Si](C)(C)C)C4)nc21.
What is the InChIKey of 3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MNSWLZGAMSBPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O3Si/c1-21-8-9-22-14-25(27-18-34-28(39-27)16-32(2)10-6-7-11-32)30(35-29(21)22)23-15-24-26(33-17-23)19-36(31(24)37)20-38-12-13-40(3,4)5/h14-15,17-18,21H,6-13,16,19-20H2,1-5H3.
What are the key properties of 3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 558.80 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methyl-3-[2-[(1-methylcyclopentyl)methyl]-1,3-oxazol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 159619737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).