6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one

C17H19FN2O — CID 155017563

IUPAC6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCN1CC(C)(C)c2[nH]c(=O)c(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C17H19FN2O/c1-17(2)10-20(3)14-9-12(16(21)19-15(14)17)8-11-4-6-13(18)7-5-11/h4-7,9H,8,10H2,1-3H3,(H,19,21)
InChIKeyFSYVTWTWNBHKJO-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.83
Rot. Bonds2

About 6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one

6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one (PubChem CID 155017563) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one
PubChem CID155017563
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCN1CC(C)(C)c2[nH]c(=O)c(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C17H19FN2O/c1-17(2)10-20(3)14-9-12(16(21)19-15(14)17)8-11-4-6-13(18)7-5-11/h4-7,9H,8,10H2,1-3H3,(H,19,21)
InChIKeyFSYVTWTWNBHKJO-UHFFFAOYSA-N
XLogP2.83
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one with MolForge

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Related Compounds

1,3-dimethoxybenzene;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde
CID 170603024
1-[6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-5-yl]ethane-1,2-diol
CID 155017574
(2R,5S)-5-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-4-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-2-methylpiperazine-1-carboxylic acid
CID 126506370
CID 170603487
CID 170603487
(2R,5S)-4-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid
CID 118169723
5-fluoro-1,3,3-trimethyl-2H-indole
CID 58386422
N-[(3S)-1-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]piperidin-3-yl]-2-[4-[2-[[(3S)-1-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]piperidin-3-yl]amino]-2-oxoethyl]phenyl]acetamide
CID 170342871
1,14-bis[(3R)-4-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-methylpiperazin-1-yl]tetradecane-1,14-dione
CID 170342811
1-(2-chloroacetyl)-6-[(4-fluorophenyl)methyl]-3,3,4-trimethyl-2H-pyrrolo[3,2-b]pyridin-5-one
CID 118169642
4-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-N-[4-[[4-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholine-2-carbonyl]amino]cyclohexyl]morpholine-2-carboxamide
CID 170342999
(2R)-4-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-N-[[4-[[[(2R)-4-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholine-2-carbonyl]amino]methyl]phenyl]methyl]morpholine-2-carboxamide
CID 170342851
1,14-bis[4-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-methylpiperazin-1-yl]tetradecane-1,4-dione
CID 170342912

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one (CID 155017563) is 6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one is CN1CC(C)(C)c2[nH]c(=O)c(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The InChIKey is FSYVTWTWNBHKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-17(2)10-20(3)14-9-12(16(21)19-15(14)17)8-11-4-6-13(18)7-5-11/h4-7,9H,8,10H2,1-3H3,(H,19,21).
What are the key properties of 6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one?
6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one has a molecular weight of 286.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 155017563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).