2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid

C18H18N4O2 — CID 95916419

IUPAC2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid
SMILESO=C(O)Cn1cc(-c2ccccc2)c2ncnc(N3CCCC3)c21
InChIInChI=1S/C18H18N4O2/c23-15(24)11-22-10-14(13-6-2-1-3-7-13)16-17(22)18(20-12-19-16)21-8-4-5-9-21/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,23,24)
InChIKeyMZDWXASNXRAEFJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.78
Rot. Bonds4

About 2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid

2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid (PubChem CID 95916419) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid
PubChem CID95916419
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid
SMILESO=C(O)Cn1cc(-c2ccccc2)c2ncnc(N3CCCC3)c21
InChIInChI=1S/C18H18N4O2/c23-15(24)11-22-10-14(13-6-2-1-3-7-13)16-17(22)18(20-12-19-16)21-8-4-5-9-21/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,23,24)
InChIKeyMZDWXASNXRAEFJ-UHFFFAOYSA-N
XLogP2.78
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid 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

Dazmegrel
CID 53555
(2-Pyridin-2-yl-1H-benzimidazol-1-yl)acetic acid
CID 3164138
(3-Imidazol-1-ylmethyl-indol-1-yl)-acetic acid
CID 13594154
3-[3-(Imidazol-1-ylmethyl)indol-1-yl]propanoic acid
CID 13594155
(R)-Cyclohexyl-[(3S,4S)-3-(4-imidazo[4,5-b]pyridin-3-yl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-acetic acid
CID 20664163
3-(2-Cyclopropyl-3-imidazol-1-ylmethyl-indol-1-yl)-propionic acid
CID 44343361
6-(((r)-1-Cyclobutylethyl)amino)-8-(4-isopropylpyridin-2-yl)-7-((trans-4-methylcyclohexyl)methyl)-7h-purine-2-carboxylic acid
CID 90325336
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
CID 10028665
1-(4-Benzhydrylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
CID 10097232
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-3-yl)propan-2-ol
CID 11755451
3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-acrylic acid
CID 13094289
3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-propionic acid
CID 13594156

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid (CID 95916419) is 2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid is O=C(O)Cn1cc(-c2ccccc2)c2ncnc(N3CCCC3)c21.
What is the InChIKey of 2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid?
The InChIKey is MZDWXASNXRAEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-15(24)11-22-10-14(13-6-2-1-3-7-13)16-17(22)18(20-12-19-16)21-8-4-5-9-21/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,23,24).
What are the key properties of 2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid?
2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid has a molecular weight of 322.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 95916419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).