5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one

C30H40N6O4Si — CID 123513480

IUPAC5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCN(c2nccc3oc(-c4cnc5ccc(OCC6CCC(=O)N6)nn45)cc23)CC1
InChIInChI=1S/C30H40N6O4Si/c1-30(2,3)41(4,5)39-18-20-11-14-35(15-12-20)29-22-16-25(40-24(22)10-13-31-29)23-17-32-26-7-9-28(34-36(23)26)38-19-21-6-8-27(37)33-21/h7,9-10,13,16-17,20-21H,6,8,11-12,14-15,18-19H2,1-5H3,(H,33,37)
InChIKeyZNGVQWAWJYNRHU-UHFFFAOYSA-N
MW576.77 g/mol
LogP5.43
Rot. Bonds8

About 5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one

5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 123513480) has the molecular formula C30H40N6O4Si and a molecular weight of 576.77 g/mol. Its IUPAC name is 5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
PubChem CID123513480
Molecular FormulaC30H40N6O4Si
Molecular Weight576.77 g/mol
Exact Mass576.29
IUPAC Name5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCN(c2nccc3oc(-c4cnc5ccc(OCC6CCC(=O)N6)nn45)cc23)CC1
InChIInChI=1S/C30H40N6O4Si/c1-30(2,3)41(4,5)39-18-20-11-14-35(15-12-20)29-22-16-25(40-24(22)10-13-31-29)23-17-32-26-7-9-28(34-36(23)26)38-19-21-6-8-27(37)33-21/h7,9-10,13,16-17,20-21H,6,8,11-12,14-15,18-19H2,1-5H3,(H,33,37)
InChIKeyZNGVQWAWJYNRHU-UHFFFAOYSA-N
XLogP5.43
TPSA107.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.77
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[5-Benzyl-4-(2-Oxo-2-Pyrrolidin-1-Ylethyl)-1,3-Oxazol-2-Yl]-1-Ethyl-N-(Tetrahydro-2h-Pyran-4-Yl)-1h-Pyrazolo[3,4-B]pyridin-4-Amine
CID 46945866
Mnk1/2-IN-5
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3-[3-(4-Fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
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Mnk1/2-IN-7
CID 155326246
3-[(2S,4S)-2-ethyloxan-4-yl]-12-(1-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),5,9,11-pentaen-4-one
CID 71682062
1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 76318078
1-[4-[4-(7-Amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 53379264
US9096589, 5,8-Dimethyl-2-{2-[1-methyl-4-(5-methyl-furan-2-yl)-1H-imidazol-2-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 53250651
US9096589, 2-{(E)-2-[4-Furan-2-yl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-vinyl}-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 53251779
N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 58857589
3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857759
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CID 58857771

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one (CID 123513480) is 5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OCC1CCN(c2nccc3oc(-c4cnc5ccc(OCC6CCC(=O)N6)nn45)cc23)CC1.
What is the InChIKey of 5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is ZNGVQWAWJYNRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O4Si/c1-30(2,3)41(4,5)39-18-20-11-14-35(15-12-20)29-22-16-25(40-24(22)10-13-31-29)23-17-32-26-7-9-28(34-36(23)26)38-19-21-6-8-27(37)33-21/h7,9-10,13,16-17,20-21H,6,8,11-12,14-15,18-19H2,1-5H3,(H,33,37).
What are the key properties of 5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 576.77 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 123513480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).