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

C24H21FN4O2 — CID 53131655

IUPAC2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21)NCc1ccc(F)cc1
InChIInChI=1S/C24H21FN4O2/c25-18-8-6-16(7-9-18)12-26-21(30)14-28-13-20(17-4-2-1-3-5-17)22-23(28)24(31)29(15-27-22)19-10-11-19/h1-9,13,15,19H,10-12,14H2,(H,26,30)
InChIKeyRTZBBWUBSYPHTL-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.66
Rot. Bonds6

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

2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 53131655) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID53131655
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21)NCc1ccc(F)cc1
InChIInChI=1S/C24H21FN4O2/c25-18-8-6-16(7-9-18)12-26-21(30)14-28-13-20(17-4-2-1-3-5-17)22-23(28)24(31)29(15-27-22)19-10-11-19/h1-9,13,15,19H,10-12,14H2,(H,26,30)
InChIKeyRTZBBWUBSYPHTL-UHFFFAOYSA-N
XLogP3.66
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 53131655) is 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21)NCc1ccc(F)cc1.
What is the InChIKey of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is RTZBBWUBSYPHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-18-8-6-16(7-9-18)12-26-21(30)14-28-13-20(17-4-2-1-3-5-17)22-23(28)24(31)29(15-27-22)19-10-11-19/h1-9,13,15,19H,10-12,14H2,(H,26,30).
What are the key properties of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 416.46 g/mol, XLogP of 3.66, 6 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-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 53131655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).