N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide

C34H38F3N5O5Si — CID 131735169

IUPACN-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide
SMILESC[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)CC2(O3)C(=O)N(COCC[Si](C)(C)C)c3ncccc32)C(=O)N1CC(F)(F)F
InChIInChI=1S/C34H38F3N5O5Si/c1-21-25(22-9-6-5-7-10-22)16-27(31(44)41(21)19-34(35,36)37)40-29(43)24-15-23-17-33(47-30(23)39-18-24)26-11-8-12-38-28(26)42(32(33)45)20-46-13-14-48(2,3)4/h5-12,15,18,21,25,27H,13-14,16-17,19-20H2,1-4H3,(H,40,43)/t21-,25-,27+,33?/m1/s1
InChIKeyXLDQRTMBANIHIO-ZXWAISLTSA-N
MW681.79 g/mol
LogP5.03
Rot. Bonds9

About N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide

N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide (PubChem CID 131735169) has the molecular formula C34H38F3N5O5Si and a molecular weight of 681.79 g/mol. Its IUPAC name is N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide
PubChem CID131735169
Molecular FormulaC34H38F3N5O5Si
Molecular Weight681.79 g/mol
Exact Mass681.26
IUPAC NameN-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide
SMILESC[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)CC2(O3)C(=O)N(COCC[Si](C)(C)C)c3ncccc32)C(=O)N1CC(F)(F)F
InChIInChI=1S/C34H38F3N5O5Si/c1-21-25(22-9-6-5-7-10-22)16-27(31(44)41(21)19-34(35,36)37)40-29(43)24-15-23-17-33(47-30(23)39-18-24)26-11-8-12-38-28(26)42(32(33)45)20-46-13-14-48(2,3)4/h5-12,15,18,21,25,27H,13-14,16-17,19-20H2,1-4H3,(H,40,43)/t21-,25-,27+,33?/m1/s1
InChIKeyXLDQRTMBANIHIO-ZXWAISLTSA-N
XLogP5.03
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.79
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide with MolForge

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Related Compounds

1-[6-[4-[3-[1-[2-(4-Propan-2-ylphenoxy)acetyl]piperidin-4-yl]propyl]piperidin-1-yl]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 73346101
1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)pyridin-2-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 67306494
2-[(2S,6R)-2,6-dimethyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone
CID 67307585
(3R)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-5'-carboxamide
CID 72203554
(3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-5'-carboxamide
CID 72203555
2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone
CID 77263744
N-(2-(1-(5-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)ethyl)-1-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl)-2-morpholinoacetamide
CID 89874665
N-[(3S,5S,6R)-6-Methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1',2'-dihydro-3H-spiro[1-benzofuran-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide
CID 90050663
N-[3-[2-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]-2-ethyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]cyclopentanecarboxamide
CID 117974583
N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-5'-carboxamide
CID 118023903
3,3-difluoro-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxospiro[1-benzofuran-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
CID 118030834
N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide
CID 123406159

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The IUPAC name of N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide (CID 131735169) is N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide.
What is the SMILES notation for N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The canonical SMILES for N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide is C[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)CC2(O3)C(=O)N(COCC[Si](C)(C)C)c3ncccc32)C(=O)N1CC(F)(F)F.
What is the InChIKey of N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The InChIKey is XLDQRTMBANIHIO-ZXWAISLTSA-N. The full InChI is InChI=1S/C34H38F3N5O5Si/c1-21-25(22-9-6-5-7-10-22)16-27(31(44)41(21)19-34(35,36)37)40-29(43)24-15-23-17-33(47-30(23)39-18-24)26-11-8-12-38-28(26)42(32(33)45)20-46-13-14-48(2,3)4/h5-12,15,18,21,25,27H,13-14,16-17,19-20H2,1-4H3,(H,40,43)/t21-,25-,27+,33?/m1/s1.
What are the key properties of N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide?
N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide has a molecular weight of 681.79 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide is sourced from PubChem (CID 131735169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).