3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline

C23H20F3N5O2 — CID 153389428

IUPAC3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline
SMILESCNc1ccc(C(F)(F)F)cc1.NC(=O)c1cccc(-c2ccnc3[nH]cc(NC=O)c23)c1
InChIInChI=1S/C15H12N4O2.C8H8F3N/c16-14(21)10-3-1-2-9(6-10)11-4-5-17-15-13(11)12(7-18-15)19-8-20;1-12-7-4-2-6(3-5-7)8(9,10)11/h1-8H,(H2,16,21)(H,17,18)(H,19,20);2-5,12H,1H3
InChIKeyIFXYKEGXCVBDTB-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.64
Rot. Bonds5

About 3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline

3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline (PubChem CID 153389428) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline
PubChem CID153389428
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline
SMILESCNc1ccc(C(F)(F)F)cc1.NC(=O)c1cccc(-c2ccnc3[nH]cc(NC=O)c23)c1
InChIInChI=1S/C15H12N4O2.C8H8F3N/c16-14(21)10-3-1-2-9(6-10)11-4-5-17-15-13(11)12(7-18-15)19-8-20;1-12-7-4-2-6(3-5-7)8(9,10)11/h1-8H,(H2,16,21)(H,17,18)(H,19,20);2-5,12H,1H3
InChIKeyIFXYKEGXCVBDTB-UHFFFAOYSA-N
XLogP4.64
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline 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

N-methyl-4-(trifluoromethyl)aniline;N-(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)formamide
CID 153389334
1-[4-(2-aminopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 146641881
3-[6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide
CID 59982989
1-[4-[4-[1-(dimethylamino)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 146641873
methyl 2-[4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetate
CID 146642042
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 151068564
(4-chlorophenyl)-[4-[3-(methylsulfanylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143384757
3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 129010764
formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol
CID 153389441
3-(methylamino)benzamide
CID 18727714
(3-methoxyphenyl)-[4-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143071850

Frequently Asked Questions

What is the IUPAC name of 3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of 3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline (CID 153389428) is 3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline is CNc1ccc(C(F)(F)F)cc1.NC(=O)c1cccc(-c2ccnc3[nH]cc(NC=O)c23)c1.
What is the InChIKey of 3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline?
The InChIKey is IFXYKEGXCVBDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2.C8H8F3N/c16-14(21)10-3-1-2-9(6-10)11-4-5-17-15-13(11)12(7-18-15)19-8-20;1-12-7-4-2-6(3-5-7)8(9,10)11/h1-8H,(H2,16,21)(H,17,18)(H,19,20);2-5,12H,1H3.
What are the key properties of 3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline?
3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline has a molecular weight of 455.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-formamido-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;N-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 153389428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).