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

C24H22N4O2 — CID 53131611

IUPAC2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)c1
InChIInChI=1S/C24H22N4O2/c1-16-6-5-9-18(12-16)26-21(29)14-27-13-20(17-7-3-2-4-8-17)22-23(27)24(30)28(15-25-22)19-10-11-19/h2-9,12-13,15,19H,10-11,14H2,1H3,(H,26,29)
InChIKeyYEPUTIOLNZIOAD-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.15
Rot. Bonds5

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

2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide (PubChem CID 53131611) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
PubChem CID53131611
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)c1
InChIInChI=1S/C24H22N4O2/c1-16-6-5-9-18(12-16)26-21(29)14-27-13-20(17-7-3-2-4-8-17)22-23(27)24(30)28(15-25-22)19-10-11-19/h2-9,12-13,15,19H,10-11,14H2,1H3,(H,26,29)
InChIKeyYEPUTIOLNZIOAD-UHFFFAOYSA-N
XLogP4.15
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide
CID 53131615
N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131727
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 53131628
2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
CID 53011903
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide
CID 51363834
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
2-(3-butyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 53002923
2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide
CID 121116795
N-(4-cyanophenyl)-2-[3-(3-methoxypropyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 53131691
N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131744
N-(3-methylsulfanylphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849647
2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 46507886

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide (CID 53131611) is 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)c1.
What is the InChIKey of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is YEPUTIOLNZIOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-6-5-9-18(12-16)26-21(29)14-27-13-20(17-7-3-2-4-8-17)22-23(27)24(30)28(15-25-22)19-10-11-19/h2-9,12-13,15,19H,10-11,14H2,1H3,(H,26,29).
What are the key properties of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide?
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 398.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 53131611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).