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

C24H20N8O — CID 121280695

IUPAC2-[2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2nc(C)nc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1
InChIInChI=1S/C24H20N8O/c1-15-11-17(5-7-26-15)23-19-6-10-32(24(19)30-16(2)29-23)14-22(33)31-21-4-3-18(12-28-21)20-13-25-8-9-27-20/h3-13H,14H2,1-2H3,(H,28,31,33)
InChIKeyWJXVVAPPQPDCSI-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.60
Rot. Bonds5

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

2-[2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280695) has the molecular formula C24H20N8O and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-[2-methyl-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-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280695
Molecular FormulaC24H20N8O
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name2-[2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2nc(C)nc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1
InChIInChI=1S/C24H20N8O/c1-15-11-17(5-7-26-15)23-19-6-10-32(24(19)30-16(2)29-23)14-22(33)31-21-4-3-18(12-28-21)20-13-25-8-9-27-20/h3-13H,14H2,1-2H3,(H,28,31,33)
InChIKeyWJXVVAPPQPDCSI-UHFFFAOYSA-N
XLogP3.60
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-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-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280695) is 2-[2-methyl-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-methyl-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-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(-c2nc(C)nc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.
What is the InChIKey of 2-[2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is WJXVVAPPQPDCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O/c1-15-11-17(5-7-26-15)23-19-6-10-32(24(19)30-16(2)29-23)14-22(33)31-21-4-3-18(12-28-21)20-13-25-8-9-27-20/h3-13H,14H2,1-2H3,(H,28,31,33).
What are the key properties of 2-[2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[2-methyl-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 436.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-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 121280695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).