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

C23H18N8O — CID 121271678

IUPAC2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ncnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1
InChIInChI=1S/C23H18N8O/c1-15-10-16(4-6-25-15)22-18-5-9-31(23(18)29-14-28-22)13-21(32)30-20-3-2-17(11-27-20)19-12-24-7-8-26-19/h2-12,14H,13H2,1H3,(H,27,30,32)
InChIKeySBVQHHGDUMDMGR-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.29
Rot. Bonds5

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

2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121271678) has the molecular formula C23H18N8O and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121271678
Molecular FormulaC23H18N8O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC Name2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ncnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1
InChIInChI=1S/C23H18N8O/c1-15-10-16(4-6-25-15)22-18-5-9-31(23(18)29-14-28-22)13-21(32)30-20-3-2-17(11-27-20)19-12-24-7-8-26-19/h2-12,14H,13H2,1H3,(H,27,30,32)
InChIKeySBVQHHGDUMDMGR-UHFFFAOYSA-N
XLogP3.29
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[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-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121271678) is 2-[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-[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-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(-c2ncnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is SBVQHHGDUMDMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O/c1-15-10-16(4-6-25-15)22-18-5-9-31(23(18)29-14-28-22)13-21(32)30-20-3-2-17(11-27-20)19-12-24-7-8-26-19/h2-12,14H,13H2,1H3,(H,27,30,32).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[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 422.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[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 121271678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).