2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol

C54H75FN10O8S2 — CID 167648956

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol

2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol (PubChem CID 167648956) has the molecular formula C54H75FN10O8S2 and a molecular weight of 1075.39 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol
• PubChem CID: 167648956
• Molecular Formula: C54H75FN10O8S2
• Molecular Weight: 1075.39 g/mol
• Exact Mass: 1074.52
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol
• SMILES: CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(F)nc2N2CCC3(CC2)CC3)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC[C@@H](O)C3)nc2N2CCC3(CC2)CC3)c1.O[C@@H]1CCNC1
• InChI: InChI=1S/C27H37N5O4S.C23H29FN4O3S.C4H9NO/c1-26(2,3)30-37(35,36)21-6-4-5-19(17-21)28-25(34)22-7-8-23(32-14-9-20(33)18-32)29-24(22)31-15-12-27(10-11-27)13-16-31;1-22(2,3)27-32(30,31)17-6-4-5-16(15-17)25-21(29)18-7-8-19(24)26-20(18)28-13-11-23(9-10-23)12-14-28;6-4-1-2-5-3-4/h4-8,17,20,30,33H,9-16,18H2,1-3H3,(H,28,34);4-8,15,27H,9-14H2,1-3H3,(H,25,29);4-6H,1-3H2/t20-;;4-/m1.1/s1
• InChIKey: QHGUXOMIPOHWTR-RDBKIQBKSA-N
• XLogP: 6.63
• TPSA: 238.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1075.39
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol (CID 167648956) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(F)nc2N2CCC3(CC2)CC3)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC[C@@H](O)C3)nc2N2CCC3(CC2)CC3)c1.O[C@@H]1CCNC1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol?

The InChIKey is QHGUXOMIPOHWTR-RDBKIQBKSA-N. The full InChI is InChI=1S/C27H37N5O4S.C23H29FN4O3S.C4H9NO/c1-26(2,3)30-37(35,36)21-6-4-5-19(17-21)28-25(34)22-7-8-23(32-14-9-20(33)18-32)29-24(22)31-15-12-27(10-11-27)13-16-31;1-22(2,3)27-32(30,31)17-6-4-5-16(15-17)25-21(29)18-7-8-19(24)26-20(18)28-13-11-23(9-10-23)12-14-28;6-4-1-2-5-3-4/h4-8,17,20,30,33H,9-16,18H2,1-3H3,(H,28,34);4-8,15,27H,9-14H2,1-3H3,(H,25,29);4-6H,1-3H2/t20-;;4-/m1.1/s1.

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol?

2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol has a molecular weight of 1075.39 g/mol, XLogP of 6.63, 11 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol is sourced from PubChem (CID 167648956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).