methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate

C24H22N4O5 — CID 51363752

IUPACmethyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3cccc(OC)c3)cn(C)c2c1=O
InChIInChI=1S/C24H22N4O5/c1-27-12-18(15-7-6-8-16(11-15)32-2)21-22(27)23(30)28(14-25-21)13-20(29)26-19-10-5-4-9-17(19)24(31)33-3/h4-12,14H,13H2,1-3H3,(H,26,29)
InChIKeyBFXUPXKDKJPTPH-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.84
Rot. Bonds6

About methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate

methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate (PubChem CID 51363752) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate
PubChem CID51363752
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Namemethyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3cccc(OC)c3)cn(C)c2c1=O
InChIInChI=1S/C24H22N4O5/c1-27-12-18(15-7-6-8-16(11-15)32-2)21-22(27)23(30)28(14-25-21)13-20(29)26-19-10-5-4-9-17(19)24(31)33-3/h4-12,14H,13H2,1-3H3,(H,26,29)
InChIKeyBFXUPXKDKJPTPH-UHFFFAOYSA-N
XLogP2.84
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate 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-(4-fluorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363757
2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 51363764
N-(3-chlorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363762
N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363758
2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 51363753
N-(2-chlorophenyl)-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363815
2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid
CID 95916394
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95920151
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide
CID 51363834
methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336415
N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841617
N-[4-(3-methoxyphenyl)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 46979282

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate (CID 51363752) is methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3cccc(OC)c3)cn(C)c2c1=O.
What is the InChIKey of methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate?
The InChIKey is BFXUPXKDKJPTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-27-12-18(15-7-6-8-16(11-15)32-2)21-22(27)23(30)28(14-25-21)13-20(29)26-19-10-5-4-9-17(19)24(31)33-3/h4-12,14H,13H2,1-3H3,(H,26,29).
What are the key properties of methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate?
methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate has a molecular weight of 446.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate is sourced from PubChem (CID 51363752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).