N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide

C26H23N7O — CID 72705687

IUPACN-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CNc3nccc(-c4cnc5ccccn45)n3)cc2)c(N)c1
InChIInChI=1S/C26H23N7O/c1-17-5-10-21(20(27)14-17)31-25(34)19-8-6-18(7-9-19)15-30-26-28-12-11-22(32-26)23-16-29-24-4-2-3-13-33(23)24/h2-14,16H,15,27H2,1H3,(H,31,34)(H,28,30,32)
InChIKeyREPBGRVJLAGQES-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.55
Rot. Bonds6

About N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide

N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide (PubChem CID 72705687) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide
PubChem CID72705687
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC NameN-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CNc3nccc(-c4cnc5ccccn45)n3)cc2)c(N)c1
InChIInChI=1S/C26H23N7O/c1-17-5-10-21(20(27)14-17)31-25(34)19-8-6-18(7-9-19)15-30-26-28-12-11-22(32-26)23-16-29-24-4-2-3-13-33(23)24/h2-14,16H,15,27H2,1H3,(H,31,34)(H,28,30,32)
InChIKeyREPBGRVJLAGQES-UHFFFAOYSA-N
XLogP4.55
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.55
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

N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
CID 58930542
N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide
CID 44611916
4-imidazo[1,2-a]pyridin-3-yl-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 155573015
N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 44570853
N-(2-amino-4-fluorophenyl)-4-[[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]methyl]benzamide
CID 166810140
3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 59176893
pyridin-3-ylmethyl N-[[4-[(2-amino-4-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 10572471
N-(2-aminophenyl)-4-[[[4-[3-[2-(dimethylamino)ethoxy]phenyl]pyrimidin-2-yl]amino]methyl]benzamide
CID 44570975
5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 58930578
N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 44610993
[3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanol
CID 122429884
2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305976

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide (CID 72705687) is N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide is Cc1ccc(NC(=O)c2ccc(CNc3nccc(-c4cnc5ccccn45)n3)cc2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide?
The InChIKey is REPBGRVJLAGQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O/c1-17-5-10-21(20(27)14-17)31-25(34)19-8-6-18(7-9-19)15-30-26-28-12-11-22(32-26)23-16-29-24-4-2-3-13-33(23)24/h2-14,16H,15,27H2,1H3,(H,31,34)(H,28,30,32).
What are the key properties of N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide?
N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide has a molecular weight of 449.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 72705687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).