2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C23H17ClN8O — CID 121280697

IUPAC2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2nc(Cl)nc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1
InChIInChI=1S/C23H17ClN8O/c1-14-10-15(4-6-26-14)21-17-5-9-32(22(17)31-23(24)30-21)13-20(33)29-19-3-2-16(11-28-19)18-12-25-7-8-27-18/h2-12H,13H2,1H3,(H,28,29,33)
InChIKeyIZCSRAGIUFPFFB-UHFFFAOYSA-N
MW456.90 g/mol
LogP3.95
Rot. Bonds5

About 2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280697) has the molecular formula C23H17ClN8O and a molecular weight of 456.90 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280697
Molecular FormulaC23H17ClN8O
Molecular Weight456.90 g/mol
Exact Mass456.12
IUPAC Name2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2nc(Cl)nc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1
InChIInChI=1S/C23H17ClN8O/c1-14-10-15(4-6-26-14)21-17-5-9-32(22(17)31-23(24)30-21)13-20(33)29-19-3-2-16(11-28-19)18-12-25-7-8-27-18/h2-12H,13H2,1H3,(H,28,29,33)
InChIKeyIZCSRAGIUFPFFB-UHFFFAOYSA-N
XLogP3.95
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.90
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide 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 2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280697) is 2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(-c2nc(Cl)nc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.
What is the InChIKey of 2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is IZCSRAGIUFPFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN8O/c1-14-10-15(4-6-26-14)21-17-5-9-32(22(17)31-23(24)30-21)13-20(33)29-19-3-2-16(11-28-19)18-12-25-7-8-27-18/h2-12H,13H2,1H3,(H,28,29,33).
What are the key properties of 2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 456.90 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).