N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide

C26H22FN7O3 — CID 159953547

IUPACN-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide
SMILESCc1cc(-c2cccc(NC(=O)Cn3cnc4c3c(=O)n(Cc3ccccn3)c(=O)n4C)n2)ccc1F
InChIInChI=1S/C26H22FN7O3/c1-16-12-17(9-10-19(16)27)20-7-5-8-21(30-20)31-22(35)14-33-15-29-24-23(33)25(36)34(26(37)32(24)2)13-18-6-3-4-11-28-18/h3-12,15H,13-14H2,1-2H3,(H,30,31,35)
InChIKeyICEANSZLYVCJHW-UHFFFAOYSA-N
MW499.51 g/mol
LogP2.49
Rot. Bonds6

About N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide

N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide (PubChem CID 159953547) has the molecular formula C26H22FN7O3 and a molecular weight of 499.51 g/mol. Its IUPAC name is N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide
PubChem CID159953547
Molecular FormulaC26H22FN7O3
Molecular Weight499.51 g/mol
Exact Mass499.18
IUPAC NameN-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide
SMILESCc1cc(-c2cccc(NC(=O)Cn3cnc4c3c(=O)n(Cc3ccccn3)c(=O)n4C)n2)ccc1F
InChIInChI=1S/C26H22FN7O3/c1-16-12-17(9-10-19(16)27)20-7-5-8-21(30-20)31-22(35)14-33-15-29-24-23(33)25(36)34(26(37)32(24)2)13-18-6-3-4-11-28-18/h3-12,15H,13-14H2,1-2H3,(H,30,31,35)
InChIKeyICEANSZLYVCJHW-UHFFFAOYSA-N
XLogP2.49
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide 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-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide
CID 118961428
N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide
CID 118961365
N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide
CID 130449549
N-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide
CID 118961195
N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]acetamide
CID 130464515
N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,6-dioxopurin-7-yl]acetamide
CID 130464513
N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide
CID 118961088
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 742942
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 87424153
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 159011062
2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[6-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-2-pyridinyl]acetamide
CID 118961349
(2S)-N-[6-(5,6-dimethyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide
CID 118961201

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide?
The IUPAC name of N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide (CID 159953547) is N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide.
What is the SMILES notation for N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide?
The canonical SMILES for N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide is Cc1cc(-c2cccc(NC(=O)Cn3cnc4c3c(=O)n(Cc3ccccn3)c(=O)n4C)n2)ccc1F.
What is the InChIKey of N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide?
The InChIKey is ICEANSZLYVCJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O3/c1-16-12-17(9-10-19(16)27)20-7-5-8-21(30-20)31-22(35)14-33-15-29-24-23(33)25(36)34(26(37)32(24)2)13-18-6-3-4-11-28-18/h3-12,15H,13-14H2,1-2H3,(H,30,31,35).
What are the key properties of N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide?
N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide has a molecular weight of 499.51 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide is sourced from PubChem (CID 159953547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).