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

C28H24F3N5O4 — CID 123585549

IUPACN-[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
SMILESCC1C(c2ccccc2)CC(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)
InChIKeyOFBMOSCFDYWCNS-UHFFFAOYSA-N
MW551.53 g/mol
LogP3.32
Rot. Bonds4

About 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

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 (PubChem CID 123585549) has the molecular formula C28H24F3N5O4 and a molecular weight of 551.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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 CID123585549
Molecular FormulaC28H24F3N5O4
Molecular Weight551.53 g/mol
Exact Mass551.18
IUPAC NameN-[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
SMILESCC1C(c2ccccc2)CC(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)
InChIKeyOFBMOSCFDYWCNS-UHFFFAOYSA-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-[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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Launch Full Analysis

Related Compounds

6-[(4-Fluorophenyl)oxy]-N-methyl-N-(4-methyl-5-{[(3S)-3-methyl-1-piperazinyl]methyl}-2-pyridinyl)-3-pyridinecarboxamide
CID 23728915
US20230348426, Example 58
CID 169319053
US9822103, Example 59
CID 139269129
US9822103, Example 62
CID 139269132
US9822103, Example 72
CID 139269141
US9822103, Example 85
CID 139269154
US9822103, Example 87
CID 139269156
US9822103, Example 88
CID 139269157
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
5-[3-fluoro-4-[[(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]methyl]phenyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 145962290
US9822103, Example 27
CID 139269097
US9822103, Example 37
CID 139269107

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C(c2ccccc2)CC(NC(=O)c2cnc3c(c2)CC2(O3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F.
What is the InChIKey of 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?
The InChIKey is OFBMOSCFDYWCNS-UHFFFAOYSA-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).
What are the key properties of 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?
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 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-[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 123585549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).