(3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane

C59H60N8O8 — CID 157235435

IUPAC(3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane
SMILESC.CCN1C(=O)[C@@H](CC(=O)c2cnc3c(c2)C[C@@]2(O3)C(=O)Nc3ncccc32)C[C@@H](c2ccccc2)[C@H]1C.CCN1C(=O)[C@@H](CC(=O)c2cnc3c(c2)C[C@]2(O3)C(=O)Nc3ncccc32)C[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/2C29H28N4O4.CH4/c2*1-3-33-17(2)22(18-8-5-4-6-9-18)13-19(27(33)35)14-24(34)21-12-20-15-29(37-26(20)31-16-21)23-10-7-11-30-25(23)32-28(29)36;/h2*4-12,16-17,19,22H,3,13-15H2,1-2H3,(H,30,32,36);1H4/t17-,19-,22-,29+;17-,19-,22-,29-;/m11./s1
InChIKeyAUOSLTFIXXDBOJ-USVWDKGKSA-N
MW1009.18 g/mol
LogP8.38
Rot. Bonds10

About (3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane

(3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane (PubChem CID 157235435) has the molecular formula C59H60N8O8 and a molecular weight of 1009.18 g/mol. Its IUPAC name is (3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane.

Molecular Properties

Compound Name(3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane
PubChem CID157235435
Molecular FormulaC59H60N8O8
Molecular Weight1009.18 g/mol
Exact Mass1008.45
IUPAC Name(3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane
SMILESC.CCN1C(=O)[C@@H](CC(=O)c2cnc3c(c2)C[C@@]2(O3)C(=O)Nc3ncccc32)C[C@@H](c2ccccc2)[C@H]1C.CCN1C(=O)[C@@H](CC(=O)c2cnc3c(c2)C[C@]2(O3)C(=O)Nc3ncccc32)C[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/2C29H28N4O4.CH4/c2*1-3-33-17(2)22(18-8-5-4-6-9-18)13-19(27(33)35)14-24(34)21-12-20-15-29(37-26(20)31-16-21)23-10-7-11-30-25(23)32-28(29)36;/h2*4-12,16-17,19,22H,3,13-15H2,1-2H3,(H,30,32,36);1H4/t17-,19-,22-,29+;17-,19-,22-,29-;/m11./s1
InChIKeyAUOSLTFIXXDBOJ-USVWDKGKSA-N
XLogP8.38
TPSA202.98 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.18
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze (3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane with MolForge

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Related Compounds

(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
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
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-furo[2,3-b]pyridine]-5'-carboxamide
CID 123585549
N-((3S,5S,6R)-6-Methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl)-2'-oxo-1'-((2-(trimethylsilyl)ethoxy)methyl)-1',2'-dihydro-3H-spiro[furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide
CID 131735169
1'-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2'-oxospiro[3H-furo[2,3-b]pyridine-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxamide
CID 141631151
N,N'-bis[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(3-methoxycyclopentyl)butanediamide
CID 123666434
2-N-[4-[1-[4-[[4-(dimethylcarbamoyl)-2-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]carbamoyl]cyclohexyl]-5-oxopyrrolidin-3-yl]-5-methyl-2-pyridinyl]-4-N,4-N-dimethyl-3-[[2-[4-(3-oxomorpholin-4-yl)cyclohexyl]acetyl]amino]-1-benzofuran-2,4-dicarboxamide
CID 142811964
5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-2-one
CID 158474634
[1-acetyl-3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1-prop-2-enylpyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
CID 158578824
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide;(3E)-3-[[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one;N-(1-methylpiperidin-3-yl)-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide;5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 160121061
6-[(E)-3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)-3-oxoprop-1-enyl]-3-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis((E)-3-(2,4-dioxo-3-propyl-1H-pyrido[2,3-d]pyrimidin-6-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide);methane;3-methyl-6-[(E)-3-oxo-3-(1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-2-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 161253672

Frequently Asked Questions

What is the IUPAC name of (3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane?
The IUPAC name of (3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane (CID 157235435) is (3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane.
What is the SMILES notation for (3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane?
The canonical SMILES for (3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane is C.CCN1C(=O)[C@@H](CC(=O)c2cnc3c(c2)C[C@@]2(O3)C(=O)Nc3ncccc32)C[C@@H](c2ccccc2)[C@H]1C.CCN1C(=O)[C@@H](CC(=O)c2cnc3c(c2)C[C@]2(O3)C(=O)Nc3ncccc32)C[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane?
The InChIKey is AUOSLTFIXXDBOJ-USVWDKGKSA-N. The full InChI is InChI=1S/2C29H28N4O4.CH4/c2*1-3-33-17(2)22(18-8-5-4-6-9-18)13-19(27(33)35)14-24(34)21-12-20-15-29(37-26(20)31-16-21)23-10-7-11-30-25(23)32-28(29)36;/h2*4-12,16-17,19,22H,3,13-15H2,1-2H3,(H,30,32,36);1H4/t17-,19-,22-,29+;17-,19-,22-,29-;/m11./s1.
What are the key properties of (3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane?
(3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane has a molecular weight of 1009.18 g/mol, XLogP of 8.38, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;(3R)-5'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-2-one;methane is sourced from PubChem (CID 157235435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).