N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C26H31N7O4S2 — CID 169251617

About N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 169251617) has the molecular formula C26H31N7O4S2 and a molecular weight of 569.71 g/mol. Its IUPAC name is N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
• PubChem CID: 169251617
• Molecular Formula: C26H31N7O4S2
• Molecular Weight: 569.71 g/mol
• Exact Mass: 569.19
• IUPAC Name: N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
• SMILES: CCOc1cncc(-c2cnc(C(=O)NC(CN3CC4(CCC4)C3)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1
• InChI: InChI=1S/C26H31N7O4S2/c1-2-37-23-13-27-11-20(30-23)22-12-29-25(38-22)24(34)31-21(14-33-15-26(16-33)7-3-8-26)19-10-17(6-9-28-19)32-39(35,36)18-4-5-18/h6,9-13,18,21H,2-5,7-8,14-16H2,1H3,(H,28,32)(H,31,34)
• InChIKey: AUWCJLBPSUMJKZ-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 139.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.71
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 169251617) is N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)NC(CN3CC4(CCC4)C3)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1.

What is the InChIKey of N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?

The InChIKey is AUWCJLBPSUMJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O4S2/c1-2-37-23-13-27-11-20(30-23)22-12-29-25(38-22)24(34)31-21(14-33-15-26(16-33)7-3-8-26)19-10-17(6-9-28-19)32-39(35,36)18-4-5-18/h6,9-13,18,21H,2-5,7-8,14-16H2,1H3,(H,28,32)(H,31,34).

What are the key properties of N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?

N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 569.71 g/mol, XLogP of 3.25, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).