2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide

C23H21FN4O2 — CID 20932059

IUPAC2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CC(=O)NCc3cccc(F)c3)c(=O)c12
InChIInChI=1S/C23H21FN4O2/c1-15-16(2)28(19-9-4-3-5-10-19)22-21(15)23(30)27(14-26-22)13-20(29)25-12-17-7-6-8-18(24)11-17/h3-11,14H,12-13H2,1-2H3,(H,25,29)
InChIKeyVFQTWZLRRURFIV-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.26
Rot. Bonds5

About 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide

2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 20932059) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID20932059
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CC(=O)NCc3cccc(F)c3)c(=O)c12
InChIInChI=1S/C23H21FN4O2/c1-15-16(2)28(19-9-4-3-5-10-19)22-21(15)23(30)27(14-26-22)13-20(29)25-12-17-7-6-8-18(24)11-17/h3-11,14H,12-13H2,1-2H3,(H,25,29)
InChIKeyVFQTWZLRRURFIV-UHFFFAOYSA-N
XLogP3.26
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide (CID 20932059) is 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide is Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)NCc3cccc(F)c3)c(=O)c12.
What is the InChIKey of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is VFQTWZLRRURFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-15-16(2)28(19-9-4-3-5-10-19)22-21(15)23(30)27(14-26-22)13-20(29)25-12-17-7-6-8-18(24)11-17/h3-11,14H,12-13H2,1-2H3,(H,25,29).
What are the key properties of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide?
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 404.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 20932059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).