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

C24H19N7O — CID 121271682

IUPAC2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1
InChIInChI=1S/C24H19N7O/c1-16-12-17(4-7-26-16)19-5-8-28-24-20(19)6-11-31(24)15-23(32)30-22-3-2-18(13-29-22)21-14-25-9-10-27-21/h2-14H,15H2,1H3,(H,29,30,32)
InChIKeyZFKKFQHXMIHWFC-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.90
Rot. Bonds5

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

2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121271682) has the molecular formula C24H19N7O and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121271682
Molecular FormulaC24H19N7O
Molecular Weight421.46 g/mol
Exact Mass421.17
IUPAC Name2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1
InChIInChI=1S/C24H19N7O/c1-16-12-17(4-7-26-16)19-5-8-28-24-20(19)6-11-31(24)15-23(32)30-22-3-2-18(13-29-22)21-14-25-9-10-27-21/h2-14H,15H2,1H3,(H,29,30,32)
InChIKeyZFKKFQHXMIHWFC-UHFFFAOYSA-N
XLogP3.90
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121271682) is 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(-c2ccnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is ZFKKFQHXMIHWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O/c1-16-12-17(4-7-26-16)19-5-8-28-24-20(19)6-11-31(24)15-23(32)30-22-3-2-18(13-29-22)21-14-25-9-10-27-21/h2-14H,15H2,1H3,(H,29,30,32).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 421.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121271682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).