1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide

C25H27F3N6O2 — CID 25204337

IUPAC1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC(=C4C(=C3)N(C=N4)C)C#N)C(F)(F)F
InChIInChI=1S/C25H27F3N6O2/c1-30-24(35)16-6-9-34(10-7-16)8-3-11-36-22-5-4-17(12-18(22)25(26,27)28)19-13-21-23(20(14-29)32-19)31-15-33(21)2/h4-5,12-13,15-16H,3,6-11H2,1-2H3,(H,30,35)
InChIKeyONQGMOIJYFECSB-UHFFFAOYSA-N
MW500.50 g/mol
LogP3.10
Rot. Bonds7

About 1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide

1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide (PubChem CID 25204337) has the molecular formula C25H27F3N6O2 and a molecular weight of 500.50 g/mol. Its IUPAC name is 1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide
PubChem CID25204337
Molecular FormulaC25H27F3N6O2
Molecular Weight500.50 g/mol
Exact Mass500.21
IUPAC Name1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC(=C4C(=C3)N(C=N4)C)C#N)C(F)(F)F
InChIInChI=1S/C25H27F3N6O2/c1-30-24(35)16-6-9-34(10-7-16)8-3-11-36-22-5-4-17(12-18(22)25(26,27)28)19-13-21-23(20(14-29)32-19)31-15-33(21)2/h4-5,12-13,15-16H,3,6-11H2,1-2H3,(H,30,35)
InChIKeyONQGMOIJYFECSB-UHFFFAOYSA-N
XLogP3.10
TPSA96.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity796

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide (CID 25204337) is 1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC(=C4C(=C3)N(C=N4)C)C#N)C(F)(F)F.
What is the InChIKey of 1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is ONQGMOIJYFECSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O2/c1-30-24(35)16-6-9-34(10-7-16)8-3-11-36-22-5-4-17(12-18(22)25(26,27)28)19-13-21-23(20(14-29)32-19)31-15-33(21)2/h4-5,12-13,15-16H,3,6-11H2,1-2H3,(H,30,35).
What are the key properties of 1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide?
1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 500.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 25204337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).