sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate

C52H64ClF4N12NaO6S2 — CID 163790936

About sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate

sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate (PubChem CID 163790936) has the molecular formula C52H64ClF4N12NaO6S2 and a molecular weight of 1151.73 g/mol. Its IUPAC name is sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate.

Molecular Properties

• Compound Name: sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate
• PubChem CID: 163790936
• Molecular Formula: C52H64ClF4N12NaO6S2
• Molecular Weight: 1151.73 g/mol
• Exact Mass: 1150.40
• IUPAC Name: sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate
• SMILES: Cc1cc(NC(=O)c2cnc(Cl)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1.Cc1cc(NC(=O)c2cnc(S(=O)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1.O=S([O-])C1CC1.[Na+]
• InChI: InChI=1S/C26H32F2N6O3S.C23H27ClF2N6O.C3H6O2S.Na/c1-17-14-21(32-24(30-17)34-12-8-26(27,28)9-13-34)31-23(35)19-16-29-22(38(36,37)18-2-3-18)15-20(19)33-10-6-25(4-5-25)7-11-33;1-15-12-19(30-21(28-15)32-10-6-23(25,26)7-11-32)29-20(33)16-14-27-18(24)13-17(16)31-8-4-22(2-3-22)5-9-31;4-6(5)3-1-2-3;/h14-16,18H,2-13H2,1H3,(H,30,31,32,35);12-14H,2-11H2,1H3,(H,28,29,30,33);3H,1-2H2,(H,4,5);/q;;;+1/p-1
• InChIKey: FCIVAJRNUOPDAM-UHFFFAOYSA-M
• XLogP: 5.72
• TPSA: 222.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1151.73
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate?

The IUPAC name of sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate (CID 163790936) is sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate.

What is the SMILES notation for sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate?

The canonical SMILES for sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate is Cc1cc(NC(=O)c2cnc(Cl)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1.Cc1cc(NC(=O)c2cnc(S(=O)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1.O=S([O-])C1CC1.[Na+].

What is the InChIKey of sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate?

The InChIKey is FCIVAJRNUOPDAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H32F2N6O3S.C23H27ClF2N6O.C3H6O2S.Na/c1-17-14-21(32-24(30-17)34-12-8-26(27,28)9-13-34)31-23(35)19-16-29-22(38(36,37)18-2-3-18)15-20(19)33-10-6-25(4-5-25)7-11-33;1-15-12-19(30-21(28-15)32-10-6-23(25,26)7-11-32)29-20(33)16-14-27-18(24)13-17(16)31-8-4-22(2-3-22)5-9-31;4-6(5)3-1-2-3;/h14-16,18H,2-13H2,1H3,(H,30,31,32,35);12-14H,2-11H2,1H3,(H,28,29,30,33);3H,1-2H2,(H,4,5);/q;;;+1/p-1.

What are the key properties of sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate?

sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate has a molecular weight of 1151.73 g/mol, XLogP of 5.72, 11 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-cyclopropylsulfonyl-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;cyclopropanesulfinate is sourced from PubChem (CID 163790936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).