3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C20H18F4N4O2 — CID 162749110

IUPAC3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1c[nH]c2ncc(F)c(C3CCN(C(=O)c4ccc(C(F)(F)F)[nH]c4=O)CC3)c12
InChIInChI=1S/C20H18F4N4O2/c1-10-8-25-17-15(10)16(13(21)9-26-17)11-4-6-28(7-5-11)19(30)12-2-3-14(20(22,23)24)27-18(12)29/h2-3,8-9,11H,4-7H2,1H3,(H,25,26)(H,27,29)
InChIKeyFNOZTTIUYFDQTB-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.74
Rot. Bonds2

About 3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 162749110) has the molecular formula C20H18F4N4O2 and a molecular weight of 422.38 g/mol. Its IUPAC name is 3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID162749110
Molecular FormulaC20H18F4N4O2
Molecular Weight422.38 g/mol
Exact Mass422.14
IUPAC Name3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1c[nH]c2ncc(F)c(C3CCN(C(=O)c4ccc(C(F)(F)F)[nH]c4=O)CC3)c12
InChIInChI=1S/C20H18F4N4O2/c1-10-8-25-17-15(10)16(13(21)9-26-17)11-4-6-28(7-5-11)19(30)12-2-3-14(20(22,23)24)27-18(12)29/h2-3,8-9,11H,4-7H2,1H3,(H,25,26)(H,27,29)
InChIKeyFNOZTTIUYFDQTB-UHFFFAOYSA-N
XLogP3.74
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43416114
1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63032313
3-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 79403200
3-(3-hydroxyazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 63104545
3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 122147899
3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 154798042
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[(12S)-4-fluoro-12-hydroxy-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl]piperidin-1-yl]methanone
CID 177182958
6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56862466
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[(12S)-4-fluoro-12-methoxy-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl]piperidin-1-yl]methanone
CID 177182940
(3S,4S)-4-cyclopropyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 72898205
[2-amino-4-(trifluoromethoxy)phenyl]-[4-(12-fluoro-4-oxa-8,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-13-yl)piperidin-1-yl]methanone
CID 177182876
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[5-fluoro-2-(1-methylazetidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone
CID 162749131

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 162749110) is 3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is Cc1c[nH]c2ncc(F)c(C3CCN(C(=O)c4ccc(C(F)(F)F)[nH]c4=O)CC3)c12.
What is the InChIKey of 3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FNOZTTIUYFDQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O2/c1-10-8-25-17-15(10)16(13(21)9-26-17)11-4-6-28(7-5-11)19(30)12-2-3-14(20(22,23)24)27-18(12)29/h2-3,8-9,11H,4-7H2,1H3,(H,25,26)(H,27,29).
What are the key properties of 3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 422.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 162749110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).