N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide

C24H18FN7O — CID 44610993

IUPACN-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Nc2ncc(F)c(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C24H18FN7O/c25-17-13-28-24(31-22(17)20-14-27-21-7-3-4-12-32(20)21)29-16-10-8-15(9-11-16)23(33)30-19-6-2-1-5-18(19)26/h1-14H,26H2,(H,30,33)(H,28,29,31)
InChIKeyUAIZTGGWFPKBGW-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.51
Rot. Bonds5

About N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide

N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 44610993) has the molecular formula C24H18FN7O and a molecular weight of 439.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide
PubChem CID44610993
Molecular FormulaC24H18FN7O
Molecular Weight439.45 g/mol
Exact Mass439.16
IUPAC NameN-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Nc2ncc(F)c(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C24H18FN7O/c25-17-13-28-24(31-22(17)20-14-27-21-7-3-4-12-32(20)21)29-16-10-8-15(9-11-16)23(33)30-19-6-2-1-5-18(19)26/h1-14H,26H2,(H,30,33)(H,28,29,31)
InChIKeyUAIZTGGWFPKBGW-UHFFFAOYSA-N
XLogP4.51
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide
CID 44610994
N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide
CID 44611916
N-(2-aminophenyl)-4-[[4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidin-2-yl]amino]benzamide
CID 175193338
N-(2-aminophenyl)-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 44611377
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide
CID 72705687
N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163785
N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 58163728
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-fluorophenyl)benzamide
CID 99780272
N-(2-aminophenyl)-4-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]anilino]methyl]benzamide
CID 166068665
N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163762

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide (CID 44610993) is N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide is Nc1ccccc1NC(=O)c1ccc(Nc2ncc(F)c(-c3cnc4ccccn34)n2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is UAIZTGGWFPKBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O/c25-17-13-28-24(31-22(17)20-14-27-21-7-3-4-12-32(20)21)29-16-10-8-15(9-11-16)23(33)30-19-6-2-1-5-18(19)26/h1-14H,26H2,(H,30,33)(H,28,29,31).
What are the key properties of N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 439.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 44610993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).