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

C28H24F3N5O4 — CID 118023903

IUPACN-[(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
SMILESC[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)CC2(O3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F
InChIInChI=1S/C28H24F3N5O4/c1-15-19(16-6-3-2-4-7-16)11-21(25(38)36(15)14-28(29,30)31)34-23(37)18-10-17-12-27(40-24(17)33-13-18)20-8-5-9-32-22(20)35-26(27)39/h2-10,13,15,19,21H,11-12,14H2,1H3,(H,34,37)(H,32,35,39)/t15-,19-,21+,27?/m1/s1
InChIKeyOFBMOSCFDYWCNS-YVXMTODTSA-N
MW551.53 g/mol
LogP3.32
Rot. Bonds4

About 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

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 (PubChem CID 118023903) has the molecular formula C28H24F3N5O4 and a molecular weight of 551.53 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-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[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-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-5'-carboxamide
PubChem CID118023903
Molecular FormulaC28H24F3N5O4
Molecular Weight551.53 g/mol
Exact Mass551.18
IUPAC NameN-[(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
SMILESC[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)CC2(O3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F
InChIInChI=1S/C28H24F3N5O4/c1-15-19(16-6-3-2-4-7-16)11-21(25(38)36(15)14-28(29,30)31)34-23(37)18-10-17-12-27(40-24(17)33-13-18)20-8-5-9-32-22(20)35-26(27)39/h2-10,13,15,19,21H,11-12,14H2,1H3,(H,34,37)(H,32,35,39)/t15-,19-,21+,27?/m1/s1
InChIKeyOFBMOSCFDYWCNS-YVXMTODTSA-N
XLogP3.32
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.53
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[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-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-5'-carboxamide (CID 118023903) is 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.
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-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[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-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[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)Nc3ncccc32)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-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-5'-carboxamide?
The InChIKey is OFBMOSCFDYWCNS-YVXMTODTSA-N. The full InChI is InChI=1S/C28H24F3N5O4/c1-15-19(16-6-3-2-4-7-16)11-21(25(38)36(15)14-28(29,30)31)34-23(37)18-10-17-12-27(40-24(17)33-13-18)20-8-5-9-32-22(20)35-26(27)39/h2-10,13,15,19,21H,11-12,14H2,1H3,(H,34,37)(H,32,35,39)/t15-,19-,21+,27?/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-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[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-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-5'-carboxamide has a molecular weight of 551.53 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-furo[2,3-b]pyridine]-5'-carboxamide is sourced from PubChem (CID 118023903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).