4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one

C25H23F3N4O2 — CID 170009427

IUPAC4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
SMILESCC(c1cccc(C(F)(F)F)c1)n1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O
InChIInChI=1S/C25H23F3N4O2/c1-16(17-3-2-4-19(11-17)25(26,27)28)32-6-5-18(12-23(32)33)22-15-30-24-21(22)13-20(14-29-24)31-7-9-34-10-8-31/h2-6,11-16H,7-10H2,1H3,(H,29,30)
InChIKeyLTJOJBTZFNMCAC-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.86
Rot. Bonds4

About 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one

4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one (PubChem CID 170009427) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
PubChem CID170009427
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
SMILESCC(c1cccc(C(F)(F)F)c1)n1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O
InChIInChI=1S/C25H23F3N4O2/c1-16(17-3-2-4-19(11-17)25(26,27)28)32-6-5-18(12-23(32)33)22-15-30-24-21(22)13-20(14-29-24)31-7-9-34-10-8-31/h2-6,11-16H,7-10H2,1H3,(H,29,30)
InChIKeyLTJOJBTZFNMCAC-UHFFFAOYSA-N
XLogP4.86
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 168851094
3-[(1S)-2-(dimethylamino)-1-[4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxo-1-pyridinyl]ethyl]benzonitrile
CID 168851195
1-[1-(3,5-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 168851190
1-[(1S)-1-(3,4-difluorophenyl)-2-(dimethylamino)ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 168851185
1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 135332467
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide
CID 146610083
[3-[1-[1-(3-chloro-5-fluorophenyl)ethyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 170008921
[3-[1-[1-(3-bromo-4-fluorophenyl)ethyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 170009911
1-[2-[butan-2-yl(methyl)amino]-1-(3-chlorophenyl)ethyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 170022037
2-[1-(4-morpholin-4-ylphenyl)ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 25020703
8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one
CID 58093993
[3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 170009190

Frequently Asked Questions

What is the IUPAC name of 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one?
The IUPAC name of 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one (CID 170009427) is 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one.
What is the SMILES notation for 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one?
The canonical SMILES for 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one is CC(c1cccc(C(F)(F)F)c1)n1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O.
What is the InChIKey of 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one?
The InChIKey is LTJOJBTZFNMCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-16(17-3-2-4-19(11-17)25(26,27)28)32-6-5-18(12-23(32)33)22-15-30-24-21(22)13-20(14-29-24)31-7-9-34-10-8-31/h2-6,11-16H,7-10H2,1H3,(H,29,30).
What are the key properties of 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one?
4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one has a molecular weight of 468.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one is sourced from PubChem (CID 170009427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).