N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide

C22H22N4O3 — CID 53131748

IUPACN-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
SMILESCC(C)n1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccco3)c2c1=O
InChIInChI=1S/C22H22N4O3/c1-15(2)26-14-24-20-18(16-7-4-3-5-8-16)12-25(21(20)22(26)28)13-19(27)23-11-17-9-6-10-29-17/h3-10,12,14-15H,11,13H2,1-2H3,(H,23,27)
InChIKeyQLNJRKIZVNLQJO-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.36
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide

N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide (PubChem CID 53131748) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
PubChem CID53131748
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
SMILESCC(C)n1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccco3)c2c1=O
InChIInChI=1S/C22H22N4O3/c1-15(2)26-14-24-20-18(16-7-4-3-5-8-16)12-25(21(20)22(26)28)13-19(27)23-11-17-9-6-10-29-17/h3-10,12,14-15H,11,13H2,1-2H3,(H,23,27)
InChIKeyQLNJRKIZVNLQJO-UHFFFAOYSA-N
XLogP3.36
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide (CID 53131748) is N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide is CC(C)n1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccco3)c2c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The InChIKey is QLNJRKIZVNLQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(2)26-14-24-20-18(16-7-4-3-5-8-16)12-25(21(20)22(26)28)13-19(27)23-11-17-9-6-10-29-17/h3-10,12,14-15H,11,13H2,1-2H3,(H,23,27).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 53131748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).