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

C23H23N7O — CID 121271669

IUPAC2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1ccc2c(N3CCCCC3)ccnc21)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C23H23N7O/c31-22(28-21-5-4-17(14-27-21)19-15-24-9-10-25-19)16-30-13-7-18-20(6-8-26-23(18)30)29-11-2-1-3-12-29/h4-10,13-15H,1-3,11-12,16H2,(H,27,28,31)
InChIKeyVXHCZGJHBAZOKW-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.52
Rot. Bonds5

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

2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121271669) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121271669
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1ccc2c(N3CCCCC3)ccnc21)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C23H23N7O/c31-22(28-21-5-4-17(14-27-21)19-15-24-9-10-25-19)16-30-13-7-18-20(6-8-26-23(18)30)29-11-2-1-3-12-29/h4-10,13-15H,1-3,11-12,16H2,(H,27,28,31)
InChIKeyVXHCZGJHBAZOKW-UHFFFAOYSA-N
XLogP3.52
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121271669) is 2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is O=C(Cn1ccc2c(N3CCCCC3)ccnc21)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is VXHCZGJHBAZOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c31-22(28-21-5-4-17(14-27-21)19-15-24-9-10-25-19)16-30-13-7-18-20(6-8-26-23(18)30)29-11-2-1-3-12-29/h4-10,13-15H,1-3,11-12,16H2,(H,27,28,31).
What are the key properties of 2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 413.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121271669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).