N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide

C25H20F3N3O2 — CID 71094942

IUPACN-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C25H20F3N3O2/c1-14-7-15(9-19(8-14)25(26,27)28)13-30-22(32)16-4-5-17-11-24(12-18(17)10-16)20-3-2-6-29-21(20)31-23(24)33/h2-10H,11-13H2,1H3,(H,30,32)(H,29,31,33)
InChIKeySFZJCRQRGMCJCO-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.33
Rot. Bonds3

About N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide

N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide (PubChem CID 71094942) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide.

Molecular Properties

Compound NameN-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
PubChem CID71094942
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC NameN-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C25H20F3N3O2/c1-14-7-15(9-19(8-14)25(26,27)28)13-30-22(32)16-4-5-17-11-24(12-18(17)10-16)20-3-2-6-29-21(20)31-23(24)33/h2-10H,11-13H2,1H3,(H,30,32)(H,29,31,33)
InChIKeySFZJCRQRGMCJCO-UHFFFAOYSA-N
XLogP4.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
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2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 162566186
2-methanidylbutane;5-methanidylspiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;tungsten(2+)
CID 58379671
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717935
tert-butyl 2-[2-[[2,2-dimethylpropanoyl-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]acetate
CID 159552116
(3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-(2,3,4,5,6-pentadeuteriophenyl)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
CID 172676759
1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione
CID 168558814
2-[2-(2-methylphenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 58553877
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 59913441
N-[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,5-trifluorophenyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
CID 57336015

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The IUPAC name of N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide (CID 71094942) is N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide.
What is the SMILES notation for N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The canonical SMILES for N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide is Cc1cc(CNC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The InChIKey is SFZJCRQRGMCJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-14-7-15(9-19(8-14)25(26,27)28)13-30-22(32)16-4-5-17-11-24(12-18(17)10-16)20-3-2-6-29-21(20)31-23(24)33/h2-10H,11-13H2,1H3,(H,30,32)(H,29,31,33).
What are the key properties of N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide is sourced from PubChem (CID 71094942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).