2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide

C25H24N4O3 — CID 53131627

IUPAC2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21
InChIInChI=1S/C25H24N4O3/c1-2-32-21-11-7-6-10-20(21)27-22(30)15-28-14-19(17-8-4-3-5-9-17)23-24(28)25(31)29(16-26-23)18-12-13-18/h3-11,14,16,18H,2,12-13,15H2,1H3,(H,27,30)
InChIKeyHHMQHEQSTLMFRX-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.24
Rot. Bonds7

About 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide

2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 53131627) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide
PubChem CID53131627
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21
InChIInChI=1S/C25H24N4O3/c1-2-32-21-11-7-6-10-20(21)27-22(30)15-28-14-19(17-8-4-3-5-9-17)23-24(28)25(31)29(16-26-23)18-12-13-18/h3-11,14,16,18H,2,12-13,15H2,1H3,(H,27,30)
InChIKeyHHMQHEQSTLMFRX-UHFFFAOYSA-N
XLogP4.24
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide (CID 53131627) is 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21.
What is the InChIKey of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is HHMQHEQSTLMFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-2-32-21-11-7-6-10-20(21)27-22(30)15-28-14-19(17-8-4-3-5-9-17)23-24(28)25(31)29(16-26-23)18-12-13-18/h3-11,14,16,18H,2,12-13,15H2,1H3,(H,27,30).
What are the key properties of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide?
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 428.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 53131627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).