2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C23H24N8O — CID 121280669

IUPAC2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCN1CCN(c2ccnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)CC1
InChIInChI=1S/C23H24N8O/c1-29-10-12-30(13-11-29)20-4-6-26-23-18(20)5-9-31(23)16-22(32)28-21-3-2-17(14-27-21)19-15-24-7-8-25-19/h2-9,14-15H,10-13,16H2,1H3,(H,27,28,32)
InChIKeyCEUSXLCIIKIEGE-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280669) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280669
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCN1CCN(c2ccnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)CC1
InChIInChI=1S/C23H24N8O/c1-29-10-12-30(13-11-29)20-4-6-26-23-18(20)5-9-31(23)16-22(32)28-21-3-2-17(14-27-21)19-15-24-7-8-25-19/h2-9,14-15H,10-13,16H2,1H3,(H,27,28,32)
InChIKeyCEUSXLCIIKIEGE-UHFFFAOYSA-N
XLogP2.28
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280669) is 2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is CN1CCN(c2ccnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is CEUSXLCIIKIEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-29-10-12-30(13-11-29)20-4-6-26-23-18(20)5-9-31(23)16-22(32)28-21-3-2-17(14-27-21)19-15-24-7-8-25-19/h2-9,14-15H,10-13,16H2,1H3,(H,27,28,32).
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 428.50 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).