2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide

C23H27N7O5S — CID 139510069

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CCOC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C23H27N7O5S/c1-3-35-21-14-24-13-19(27-21)15-4-7-20(26-12-15)29-22(31)17(9-11-34-2)18-8-10-25-23(28-18)30-36(32,33)16-5-6-16/h4,7-8,10,12-14,16-17H,3,5-6,9,11H2,1-2H3,(H,25,28,30)(H,26,29,31)
InChIKeyRZBXGNCQUPDVJQ-UHFFFAOYSA-N
MW513.58 g/mol
LogP2.39
Rot. Bonds12

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide (PubChem CID 139510069) has the molecular formula C23H27N7O5S and a molecular weight of 513.58 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide
PubChem CID139510069
Molecular FormulaC23H27N7O5S
Molecular Weight513.58 g/mol
Exact Mass513.18
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CCOC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C23H27N7O5S/c1-3-35-21-14-24-13-19(27-21)15-4-7-20(26-12-15)29-22(31)17(9-11-34-2)18-8-10-25-23(28-18)30-36(32,33)16-5-6-16/h4,7-8,10,12-14,16-17H,3,5-6,9,11H2,1-2H3,(H,25,28,30)(H,26,29,31)
InChIKeyRZBXGNCQUPDVJQ-UHFFFAOYSA-N
XLogP2.39
TPSA158.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.58
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide (CID 139510069) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide is CCOc1cncc(-c2ccc(NC(=O)C(CCOC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide?
The InChIKey is RZBXGNCQUPDVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O5S/c1-3-35-21-14-24-13-19(27-21)15-4-7-20(26-12-15)29-22(31)17(9-11-34-2)18-8-10-25-23(28-18)30-36(32,33)16-5-6-16/h4,7-8,10,12-14,16-17H,3,5-6,9,11H2,1-2H3,(H,25,28,30)(H,26,29,31).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide has a molecular weight of 513.58 g/mol, XLogP of 2.39, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide is sourced from PubChem (CID 139510069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).