2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

C24H21F3N4O2 — CID 59362697

IUPAC2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCCCCc1c[nH]c2ncccc12)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C24H21F3N4O2/c25-19-11-15(12-20(26)21(19)27)14-31-10-4-7-18(24(31)33)23(32)29-8-2-1-5-16-13-30-22-17(16)6-3-9-28-22/h3-4,6-7,9-13H,1-2,5,8,14H2,(H,28,30)(H,29,32)
InChIKeyGDUKNQVCIYODKW-UHFFFAOYSA-N
MW454.45 g/mol
LogP3.94
Rot. Bonds8

About 2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 59362697) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID59362697
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCCCCc1c[nH]c2ncccc12)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C24H21F3N4O2/c25-19-11-15(12-20(26)21(19)27)14-31-10-4-7-18(24(31)33)23(32)29-8-2-1-5-16-13-30-22-17(16)6-3-9-28-22/h3-4,6-7,9-13H,1-2,5,8,14H2,(H,28,30)(H,29,32)
InChIKeyGDUKNQVCIYODKW-UHFFFAOYSA-N
XLogP3.94
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide 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

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 59362406
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide
CID 59362727
2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59362665
3-[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]propanoic acid
CID 68607888
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
1-[(3,4-difluorophenyl)methyl]-3-[3-[1-oxido-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-1-ium-3-yl]propanoyl]pyridin-2-one
CID 153041308
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid
CID 160621873
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
3-[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 159469347
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431
1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide
CID 67477836

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (CID 59362697) is 2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is O=C(NCCCCc1c[nH]c2ncccc12)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.
What is the InChIKey of 2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is GDUKNQVCIYODKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c25-19-11-15(12-20(26)21(19)27)14-31-10-4-7-18(24(31)33)23(32)29-8-2-1-5-16-13-30-22-17(16)6-3-9-28-22/h3-4,6-7,9-13H,1-2,5,8,14H2,(H,28,30)(H,29,32).
What are the key properties of 2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 454.45 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59362697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).