2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C22H22N8O — CID 121280670

IUPAC2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1ccc2c(N3CCCCC3)ncnc21)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H22N8O/c31-20(28-19-5-4-16(12-25-19)18-13-23-7-8-24-18)14-30-11-6-17-21(26-15-27-22(17)30)29-9-2-1-3-10-29/h4-8,11-13,15H,1-3,9-10,14H2,(H,25,28,31)
InChIKeyOMRWAPRYORERQL-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.91
Rot. Bonds5

About 2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280670) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280670
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1ccc2c(N3CCCCC3)ncnc21)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H22N8O/c31-20(28-19-5-4-16(12-25-19)18-13-23-7-8-24-18)14-30-11-6-17-21(26-15-27-22(17)30)29-9-2-1-3-10-29/h4-8,11-13,15H,1-3,9-10,14H2,(H,25,28,31)
InChIKeyOMRWAPRYORERQL-UHFFFAOYSA-N
XLogP2.91
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280670) is 2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is O=C(Cn1ccc2c(N3CCCCC3)ncnc21)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is OMRWAPRYORERQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c31-20(28-19-5-4-16(12-25-19)18-13-23-7-8-24-18)14-30-11-6-17-21(26-15-27-22(17)30)29-9-2-1-3-10-29/h4-8,11-13,15H,1-3,9-10,14H2,(H,25,28,31).
What are the key properties of 2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 414.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).