cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one

C23H24CoF3N5O — CID 169200689

About cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one

cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one (PubChem CID 169200689) has the molecular formula C23H24CoF3N5O and a molecular weight of 502.41 g/mol. Its IUPAC name is cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one
• PubChem CID: 169200689
• Molecular Formula: C23H24CoF3N5O
• Molecular Weight: 502.41 g/mol
• Exact Mass: 502.13
• IUPAC Name: cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one
• SMILES: O=c1[nH]cc(-c2cc[c-]cc2)cc1Nc1ccnc(N2CCC(C(F)(F)F)CC2)n1.[CH2-]C.[Co+2]
• InChI: InChI=1S/C21H19F3N5O.C2H5.Co/c22-21(23,24)16-7-10-29(11-8-16)20-25-9-6-18(28-20)27-17-12-15(13-26-19(17)30)14-4-2-1-3-5-14;1-2;/h2-6,9,12-13,16H,7-8,10-11H2,(H,26,30)(H,25,27,28);1H2,2H3;/q2*-1;+2
• InChIKey: LUOCPIGTFIDPSF-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.41
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one?

The IUPAC name of cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one (CID 169200689) is cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one.

What is the SMILES notation for cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one?

The canonical SMILES for cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one is O=c1[nH]cc(-c2cc[c-]cc2)cc1Nc1ccnc(N2CCC(C(F)(F)F)CC2)n1.[CH2-]C.[Co+2].

What is the InChIKey of cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one?

The InChIKey is LUOCPIGTFIDPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N5O.C2H5.Co/c22-21(23,24)16-7-10-29(11-8-16)20-25-9-6-18(28-20)27-17-12-15(13-26-19(17)30)14-4-2-1-3-5-14;1-2;/h2-6,9,12-13,16H,7-8,10-11H2,(H,26,30)(H,25,27,28);1H2,2H3;/q2*-1;+2.

What are the key properties of cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one?

cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one has a molecular weight of 502.41 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);ethane;5-phenyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 169200689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).