7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C26H22ClN5 — CID 5176147

IUPAC7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(CCc1ccccn1)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1
InChIInChI=1S/C26H22ClN5/c1-31(15-13-21-11-5-6-14-28-21)25-24-23(19-8-3-2-4-9-19)17-32(26(24)30-18-29-25)22-12-7-10-20(27)16-22/h2-12,14,16-18H,13,15H2,1H3
InChIKeyABKQUSVBAFQAIK-UHFFFAOYSA-N
MW439.95 g/mol
LogP5.81
Rot. Bonds6

About 7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 5176147) has the molecular formula C26H22ClN5 and a molecular weight of 439.95 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID5176147
Molecular FormulaC26H22ClN5
Molecular Weight439.95 g/mol
Exact Mass439.16
IUPAC Name7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(CCc1ccccn1)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1
InChIInChI=1S/C26H22ClN5/c1-31(15-13-21-11-5-6-14-28-21)25-24-23(19-8-3-2-4-9-19)17-32(26(24)30-18-29-25)22-12-7-10-20(27)16-22/h2-12,14,16-18H,13,15H2,1H3
InChIKeyABKQUSVBAFQAIK-UHFFFAOYSA-N
XLogP5.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.95
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine 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)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 5176147) is 7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine is CN(CCc1ccccn1)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1.
What is the InChIKey of 7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ABKQUSVBAFQAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5/c1-31(15-13-21-11-5-6-14-28-21)25-24-23(19-8-3-2-4-9-19)17-32(26(24)30-18-29-25)22-12-7-10-20(27)16-22/h2-12,14,16-18H,13,15H2,1H3.
What are the key properties of 7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 439.95 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5176147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).