1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

C22H25N7O — CID 92607041

About 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 92607041) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
• PubChem CID: 92607041
• Molecular Formula: C22H25N7O
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.21
• IUPAC Name: 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
• SMILES: CN(C)c1cc([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)nc(-c2cnccn2)n1
• InChI: InChI=1S/C22H25N7O/c1-28(2)20-12-18(26-22(27-20)19-14-24-8-9-25-19)17-6-4-10-29(15-17)21(30)11-16-5-3-7-23-13-16/h3,5,7-9,12-14,17H,4,6,10-11,15H2,1-2H3/t17-/m1/s1
• InChIKey: JIIYPRONWFFPJO-QGZVFWFLSA-N
• XLogP: 2.34
• TPSA: 88.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?

The IUPAC name of 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (CID 92607041) is 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.

What is the SMILES notation for 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?

The canonical SMILES for 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is CN(C)c1cc([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)nc(-c2cnccn2)n1.

What is the InChIKey of 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?

The InChIKey is JIIYPRONWFFPJO-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N7O/c1-28(2)20-12-18(26-22(27-20)19-14-24-8-9-25-19)17-6-4-10-29(15-17)21(30)11-16-5-3-7-23-13-16/h3,5,7-9,12-14,17H,4,6,10-11,15H2,1-2H3/t17-/m1/s1.

What are the key properties of 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?

1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 403.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 92607041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).