2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide

C21H18N4O2 — CID 52948533

IUPAC2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide
SMILESCn1ccc2ncnc(Oc3ccc(CC(=O)Nc4ccccc4)cc3)c21
InChIInChI=1S/C21H18N4O2/c1-25-12-11-18-20(25)21(23-14-22-18)27-17-9-7-15(8-10-17)13-19(26)24-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,24,26)
InChIKeyZGJPDTZDJUSHFQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.94
Rot. Bonds5

About 2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide

2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide (PubChem CID 52948533) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide
PubChem CID52948533
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide
SMILESCn1ccc2ncnc(Oc3ccc(CC(=O)Nc4ccccc4)cc3)c21
InChIInChI=1S/C21H18N4O2/c1-25-12-11-18-20(25)21(23-14-22-18)27-17-9-7-15(8-10-17)13-19(26)24-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,24,26)
InChIKeyZGJPDTZDJUSHFQ-UHFFFAOYSA-N
XLogP3.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide 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

Amg 579
CID 59351313
Gsk-269962A
CID 16095342
1-(2-fluoro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949613
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[(dimethylamino)methyl]benzamide
CID 16099847
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[2-(dimethylamino)ethoxy]benzamide
CID 16099848
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(aminomethyl)benzamide
CID 16099860
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)benzamide
CID 11339681
N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide
CID 21081523
4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
8-Oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
CID 139593670
4-(2-(4-Cyanophenylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
CID 11954403
N-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 57568544

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide?
The IUPAC name of 2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide (CID 52948533) is 2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide is Cn1ccc2ncnc(Oc3ccc(CC(=O)Nc4ccccc4)cc3)c21.
What is the InChIKey of 2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide?
The InChIKey is ZGJPDTZDJUSHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-25-12-11-18-20(25)21(23-14-22-18)27-17-9-7-15(8-10-17)13-19(26)24-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,24,26).
What are the key properties of 2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide?
2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide has a molecular weight of 358.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-N-phenylacetamide is sourced from PubChem (CID 52948533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).