1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one

C24H26F4N2O2 — CID 170763453

IUPAC1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCC(N(C)C)C(F)(F)F)cc(=O)n1[C@H](C)c1ccc(C#CC2CC2)c(F)c1
InChIInChI=1S/C24H26F4N2O2/c1-15-11-20(32-14-22(29(3)4)24(26,27)28)13-23(31)30(15)16(2)19-10-9-18(21(25)12-19)8-7-17-5-6-17/h9-13,16-17,22H,5-6,14H2,1-4H3/t16-,22?/m1/s1
InChIKeyZBUKGDQNLZDROW-XESZBRCGSA-N
MW450.48 g/mol
LogP4.54
Rot. Bonds6

About 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one

1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one (PubChem CID 170763453) has the molecular formula C24H26F4N2O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one
PubChem CID170763453
Molecular FormulaC24H26F4N2O2
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC Name1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCC(N(C)C)C(F)(F)F)cc(=O)n1[C@H](C)c1ccc(C#CC2CC2)c(F)c1
InChIInChI=1S/C24H26F4N2O2/c1-15-11-20(32-14-22(29(3)4)24(26,27)28)13-23(31)30(15)16(2)19-10-9-18(21(25)12-19)8-7-17-5-6-17/h9-13,16-17,22H,5-6,14H2,1-4H3/t16-,22?/m1/s1
InChIKeyZBUKGDQNLZDROW-XESZBRCGSA-N
XLogP4.54
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one?
The IUPAC name of 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one (CID 170763453) is 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one?
The canonical SMILES for 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one is Cc1cc(OCC(N(C)C)C(F)(F)F)cc(=O)n1[C@H](C)c1ccc(C#CC2CC2)c(F)c1.
What is the InChIKey of 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one?
The InChIKey is ZBUKGDQNLZDROW-XESZBRCGSA-N. The full InChI is InChI=1S/C24H26F4N2O2/c1-15-11-20(32-14-22(29(3)4)24(26,27)28)13-23(31)30(15)16(2)19-10-9-18(21(25)12-19)8-7-17-5-6-17/h9-13,16-17,22H,5-6,14H2,1-4H3/t16-,22?/m1/s1.
What are the key properties of 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one?
1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one has a molecular weight of 450.48 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-[2-(dimethylamino)-3,3,3-trifluoropropoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 170763453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).