7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine

C22H19ClN4 — CID 1069978

IUPAC7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine
SMILESClc1cccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)c1
InChIInChI=1S/C22H19ClN4/c23-17-9-6-10-18(13-17)27-14-19(16-7-2-1-3-8-16)20-21(24-15-25-22(20)27)26-11-4-5-12-26/h1-3,6-10,13-15H,4-5,11-12H2
InChIKeySENZMBQKIJMWGH-UHFFFAOYSA-N
MW374.88 g/mol
LogP5.34
Rot. Bonds3

About 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine

7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine (PubChem CID 1069978) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine
PubChem CID1069978
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC Name7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine
SMILESClc1cccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)c1
InChIInChI=1S/C22H19ClN4/c23-17-9-6-10-18(13-17)27-14-19(16-7-2-1-3-8-16)20-21(24-15-25-22(20)27)26-11-4-5-12-26/h1-3,6-10,13-15H,4-5,11-12H2
InChIKeySENZMBQKIJMWGH-UHFFFAOYSA-N
XLogP5.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.88
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine (CID 1069978) is 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine is Clc1cccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)c1.
What is the InChIKey of 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine?
The InChIKey is SENZMBQKIJMWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4/c23-17-9-6-10-18(13-17)27-14-19(16-7-2-1-3-8-16)20-21(24-15-25-22(20)27)26-11-4-5-12-26/h1-3,6-10,13-15H,4-5,11-12H2.
What are the key properties of 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine?
7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine has a molecular weight of 374.88 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 1069978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).