KDYWIQBIAXIWDN-UHFFFAOYSA-N

C₂₆H₂₆F₃N₅O₂S — CID 118168006

About KDYWIQBIAXIWDN-UHFFFAOYSA-N

KDYWIQBIAXIWDN-UHFFFAOYSA-N (PubChem CID 118168006) has the molecular formula C₂₆H₂₆F₃N₅O₂S and a molecular weight of 529.59 g/mol. Its IUPAC name is N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: KDYWIQBIAXIWDN-UHFFFAOYSA-N
• PubChem CID: 118168006
• Molecular Formula: C₂₆H₂₆F₃N₅O₂S
• Molecular Weight: 529.59 g/mol
• Exact Mass: 529.18
• IUPAC Name: N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: Cc1ccc(-c2cnc3c(N4CCC(C(F)(F)F)CC4)cc(C(=O)NCc4ccc(C)[n+]([O-])c4)cn23)s1
• InChI: InChI=1S/C26H26F3N5O2S/c1-16-3-5-18(14-34(16)36)12-31-25(35)19-11-21(32-9-7-20(8-10-32)26(27,28)29)24-30-13-22(33(24)15-19)23-6-4-17(2)37-23/h3-6,11,13-15,20H,7-10,12H2,1-2H3,(H,31,35)
• InChIKey: KDYWIQBIAXIWDN-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.59
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of KDYWIQBIAXIWDN-UHFFFAOYSA-N?

The IUPAC name of KDYWIQBIAXIWDN-UHFFFAOYSA-N (CID 118168006) is N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for KDYWIQBIAXIWDN-UHFFFAOYSA-N?

The canonical SMILES for KDYWIQBIAXIWDN-UHFFFAOYSA-N is Cc1ccc(-c2cnc3c(N4CCC(C(F)(F)F)CC4)cc(C(=O)NCc4ccc(C)[n+]([O-])c4)cn23)s1.

What is the InChIKey of KDYWIQBIAXIWDN-UHFFFAOYSA-N?

The InChIKey is KDYWIQBIAXIWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2S/c1-16-3-5-18(14-34(16)36)12-31-25(35)19-11-21(32-9-7-20(8-10-32)26(27,28)29)24-30-13-22(33(24)15-19)23-6-4-17(2)37-23/h3-6,11,13-15,20H,7-10,12H2,1-2H3,(H,31,35).

What are the key properties of KDYWIQBIAXIWDN-UHFFFAOYSA-N?

KDYWIQBIAXIWDN-UHFFFAOYSA-N has a molecular weight of 529.59 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for KDYWIQBIAXIWDN-UHFFFAOYSA-N is sourced from PubChem (CID 118168006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118168006 — identifiers, structure, computed properties (public domain)

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