5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one

C18H17ClN4O2 — CID 129227471

IUPAC5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2[nH]cc(-c3ccc(Cl)cc3)c2c1=O)N1CCCC1
InChIInChI=1S/C18H17ClN4O2/c19-13-5-3-12(4-6-13)14-9-20-17-16(14)18(25)23(11-21-17)10-15(24)22-7-1-2-8-22/h3-6,9,11,20H,1-2,7-8,10H2
InChIKeyRYDAEINBBSRMOI-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.67
Rot. Bonds3

About 5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one

5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 129227471) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID129227471
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2[nH]cc(-c3ccc(Cl)cc3)c2c1=O)N1CCCC1
InChIInChI=1S/C18H17ClN4O2/c19-13-5-3-12(4-6-13)14-9-20-17-16(14)18(25)23(11-21-17)10-15(24)22-7-1-2-8-22/h3-6,9,11,20H,1-2,7-8,10H2
InChIKeyRYDAEINBBSRMOI-UHFFFAOYSA-N
XLogP2.67
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 129227472
2-[5-(4-chlorophenyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]acetaldehyde
CID 154954680
3-(4-chlorophenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 129219680
5-(3-chloro-4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 137360204
5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 129227368
5-(4-chloro-3-methylphenyl)-7-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 159137524
1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7118509
5-[4-(dimethylamino)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 129219154
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
5-(4-chlorophenyl)-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 129234758
6-(4-chlorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 30935738
5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 154954876

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one (CID 129227471) is 5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one is O=C(Cn1cnc2[nH]cc(-c3ccc(Cl)cc3)c2c1=O)N1CCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is RYDAEINBBSRMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-13-5-3-12(4-6-13)14-9-20-17-16(14)18(25)23(11-21-17)10-15(24)22-7-1-2-8-22/h3-6,9,11,20H,1-2,7-8,10H2.
What are the key properties of 5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 356.81 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 129227471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).