3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide

C24H24F2N6O4S — CID 177175521

About 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide

3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 177175521) has the molecular formula C24H24F2N6O4S and a molecular weight of 530.56 g/mol. Its IUPAC name is 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide
• PubChem CID: 177175521
• Molecular Formula: C24H24F2N6O4S
• Molecular Weight: 530.56 g/mol
• Exact Mass: 530.15
• IUPAC Name: 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide
• SMILES: CCOc1cncc(-c2ccc(NC(=O)C3(c4cc(NS(=O)(=O)C(F)F)ccn4)CC4CC4C3)nc2)n1
• InChI: InChI=1S/C24H24F2N6O4S/c1-2-36-21-13-27-12-18(30-21)14-3-4-20(29-11-14)31-22(33)24(9-15-7-16(15)10-24)19-8-17(5-6-28-19)32-37(34,35)23(25)26/h3-6,8,11-13,15-16,23H,2,7,9-10H2,1H3,(H,28,32)(H,29,31,33)
• InChIKey: NXRYNPOTBOGBDS-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 136.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.56
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide?

The IUPAC name of 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide (CID 177175521) is 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide.

What is the SMILES notation for 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide?

The canonical SMILES for 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide is CCOc1cncc(-c2ccc(NC(=O)C3(c4cc(NS(=O)(=O)C(F)F)ccn4)CC4CC4C3)nc2)n1.

What is the InChIKey of 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide?

The InChIKey is NXRYNPOTBOGBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O4S/c1-2-36-21-13-27-12-18(30-21)14-3-4-20(29-11-14)31-22(33)24(9-15-7-16(15)10-24)19-8-17(5-6-28-19)32-37(34,35)23(25)26/h3-6,8,11-13,15-16,23H,2,7,9-10H2,1H3,(H,28,32)(H,29,31,33).

What are the key properties of 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide?

3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 530.56 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 177175521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).